data_2dk6_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 2dk6 _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 ' 18' ' ' THR . . . . . . . . . . . . . 21.0 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.691 0.281 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -87.84 127.63 35.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -90.0 130.48 36.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.543 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -107.9 151.39 16.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.441 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 22.1 m95 -107.91 141.33 39.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.857 0.361 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -136.16 162.23 33.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -143.88 131.02 20.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.514 HD12 ' CE2' ' A' ' 31' ' ' TRP . 10.5 tp -64.37 144.52 57.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.5 -175.39 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -78.4 -33.92 48.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.9 m -70.14 -30.81 68.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.81 34.53 1.68 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -135.45 118.06 15.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.328 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.514 ' CE2' HD12 ' A' ' 25' ' ' LEU . 67.8 m95 -66.91 115.52 6.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -101.68 137.69 39.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.413 ' HB3' ' NE2' ' A' ' 35' ' ' GLN . 1.6 tmt? -73.94 154.05 39.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.595 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 79.8 m-85 -77.13 109.06 10.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.413 ' NE2' ' HB3' ' A' ' 33' ' ' MET . 20.8 mp0 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.619 0.723 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.837 0.351 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.65 151.89 28.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.0 p -49.2 -19.28 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -77.83 -48.69 15.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -62.88 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.595 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 41.0 mt -47.08 -57.43 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -52.09 -56.64 13.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -38.86 -39.02 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' PHE . 66.9 m -71.11 -64.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.434 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 5.2 t80 -38.22 -32.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -58.16 -65.13 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.9 t -64.71 -38.57 91.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.455 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 25.5 p-10 -125.57 82.19 63.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -15.31 36.91 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.279 . . . . 0.0 112.315 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.5 p -127.99 41.6 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.5 -142.27 5.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.505 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.5 p -159.88 142.26 13.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.351 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.403 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 15.7 tt -107.56 106.94 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.2 p -86.06 126.4 34.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.474 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 23.4 p90 -150.01 157.35 43.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.1 p -125.99 125.54 42.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.178 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.0 t -152.42 169.18 23.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.417 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 3.7 t 47.49 52.85 11.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.422 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 6.7 ptpp? 41.89 37.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.467 ' CD1' ' OG1' ' A' ' 83' ' ' THR . 47.9 m-85 -159.0 150.68 20.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.5 m -93.52 142.97 26.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.539 ' CE1' ' OD1' ' A' ' 81' ' ' ASN . 57.5 m-85 -140.06 146.16 38.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.444 ' NZ ' ' OD1' ' A' ' 73' ' ' ASP . 29.2 tttm -132.9 139.35 47.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.51 HG22 ' CE1' ' A' ' 74' ' ' PHE . 74.9 mt -124.43 107.51 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.444 ' OD1' ' NZ ' ' A' ' 71' ' ' LYS . 7.1 m-20 -94.17 99.62 11.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.51 ' CE1' HG22 ' A' ' 72' ' ' ILE . 24.8 m-85 -60.45 -45.83 92.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.11 -40.15 60.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.96 -11.95 59.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.2 mmt 62.43 39.03 12.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -162.33 163.49 27.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -98.68 130.86 45.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 43.1 ttm -102.05 116.16 32.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.539 ' OD1' ' CE1' ' A' ' 70' ' ' TYR . 10.8 t-20 -90.98 149.77 21.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.588 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -122.33 -26.58 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.467 ' OG1' ' CD1' ' A' ' 68' ' ' PHE . 7.1 t -68.87 -52.83 25.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.442 ' HG1' ' ND2' ' A' ' 81' ' ' ASN . 71.9 p -110.75 -20.41 12.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.61 31.11 51.34 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.442 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -87.98 131.24 34.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -90.46 135.38 33.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -147.24 121.97 9.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.427 ' N ' HD21 ' A' ' 89' ' ' LEU . 4.2 mm? -76.1 144.78 40.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.3 pt -111.87 -176.75 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.1 pttm -171.62 144.5 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 38.6 ttp85 -111.0 126.21 54.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -156.81 151.97 21.52 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.563 0.697 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 152.48 69.38 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.657 2.238 . . . . 0.0 112.377 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.543 ' CE1' ' HA3' ' A' ' 21' ' ' GLY . 29.3 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.8 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.748 0.308 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -89.33 134.89 33.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -112.03 121.99 46.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.464 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -114.7 156.4 15.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.478 ' CE2' HG22 ' A' ' 49' ' ' ILE . 9.3 m95 -108.42 134.5 51.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.823 0.344 . . . . 0.0 110.922 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.4 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 81.3 m-85 -130.9 136.91 49.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -121.52 139.28 53.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.986 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.87 143.32 57.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.22 168.31 9.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -64.06 -38.82 92.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 74.3 m -57.4 -29.01 63.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.57 -36.2 2.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -81.98 156.13 24.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.778 0.323 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -91.65 143.41 26.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -114.4 148.35 37.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.591 ' CE ' ' CE1' ' A' ' 95' ' ' PHE . 3.4 ttt -74.7 130.0 38.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -45.06 122.17 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.562 0.696 . . . . 0.0 110.94 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.48 HG21 ' CD2' ' A' ' 63' ' ' PHE . 10.6 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.821 0.344 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' GLU . 29.4 m -137.17 168.36 19.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.2 p -41.05 -24.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' SER . 14.5 tt0 -82.12 -53.38 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -47.61 -51.57 20.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 52' ' ' SER . 5.3 mp -57.51 -69.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' A' ' 51' ' ' LYS . 9.3 tm-20 -35.85 -48.11 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.461 ' N ' ' OE1' ' A' ' 50' ' ' GLU . 24.0 tttp -62.99 -42.35 99.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 49' ' ' ILE . 17.2 t -65.78 -50.67 63.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.404 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 44.4 t80 -52.26 -40.43 61.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -56.63 -49.61 74.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.8 m -58.91 -53.13 61.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -130.74 90.71 39.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.711 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -0.63 7.2 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.35 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 96.6 m -131.49 29.78 4.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -115.46 -149.63 9.58 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.537 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.6 p -154.53 141.16 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.84 0.352 . . . . 0.0 110.85 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.466 ' CG2' ' HB ' ' A' ' 72' ' ' ILE . 12.9 tt -114.9 111.2 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.6 p -92.54 128.26 38.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 10.1 p90 -151.27 133.19 15.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 48.7 p -118.58 123.61 45.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 71.4 p -92.52 158.95 15.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.6 t -53.87 -15.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -90.33 -55.62 3.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.537 ' CD1' ' OG1' ' A' ' 83' ' ' THR . 59.4 m-85 -158.99 176.85 11.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 0.7 OUTLIER -95.38 152.01 18.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.797 -179.753 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.565 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 38.5 m-85 -153.64 140.7 19.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.941 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' MET . 28.0 tttm -130.16 124.02 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.466 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 53.7 mt -108.98 104.56 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.414 ' OD1' ' CG ' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -88.69 98.72 11.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.404 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 19.3 m-85 -53.26 -44.91 68.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.07 -45.28 91.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -80.3 -6.62 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.1 mmt 48.92 51.64 15.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.414 ' CG ' ' OD1' ' A' ' 73' ' ' ASP . 8.0 ptpp? -161.51 163.24 30.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.433 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 42.8 tt0 -106.83 103.57 13.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 71' ' ' LYS . 28.7 tpp -79.4 122.49 26.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 82' ' ' LEU . 39.6 t-20 -86.26 143.99 27.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.554 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.8 OUTLIER -112.86 -42.18 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.537 ' OG1' ' CD1' ' A' ' 68' ' ' PHE . 2.6 t -55.76 -44.67 77.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.198 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.7 p -111.17 -18.72 12.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.9 17.13 77.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.42 ' N ' ' HB3' ' A' ' 81' ' ' ASN . 27.0 mmmt -81.55 171.06 15.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.08 141.84 50.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.433 ' CG ' ' HB3' ' A' ' 79' ' ' GLN . 11.7 ptp180 -143.78 162.87 34.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -99.34 152.87 19.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.411 HD11 ' C ' ' A' ' 78' ' ' LYS . 1.4 pt -127.76 175.39 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -161.45 146.12 13.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 52.3 ttp85 -116.79 110.92 19.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -144.2 154.91 58.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.568 0.699 . . . . 0.0 111.066 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 146.03 58.79 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.591 ' CE1' ' CE ' ' A' ' 33' ' ' MET . 19.5 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.462 ' O ' ' CD1' ' A' ' 20' ' ' TRP . 3.2 t . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.696 0.284 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 50.2 mt-30 -74.22 119.34 18.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.462 ' CD1' ' O ' ' A' ' 18' ' ' THR . 86.8 m95 -118.04 125.88 51.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -128.11 156.26 20.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.468 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 11.1 m95 -96.72 144.92 26.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.779 0.323 . . . . 0.0 110.916 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 37.0 m-85 -132.97 158.82 41.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.827 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 32' ' ' HIS . 27.2 p90 -145.94 123.77 11.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.6 tp -51.82 158.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -134.96 158.13 45.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.072 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -55.03 -39.33 69.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 p -56.55 -32.15 64.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.47 -40.39 1.93 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.495 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -82.28 139.7 34.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.739 0.304 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -72.83 151.66 41.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 42.7 m-70 -119.61 124.5 46.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.545 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 6.7 ttt -73.95 122.98 23.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.548 ' CD2' HD11 ' A' ' 49' ' ' ILE . 42.2 m-85 -42.83 119.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.576 0.703 . . . . 0.0 110.876 -179.863 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.867 0.365 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.7 m -84.12 162.0 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.6 p -45.71 -32.31 2.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -64.4 -50.35 67.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -53.39 -48.85 68.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.548 HD11 ' CD2' ' A' ' 34' ' ' PHE . 5.4 mp -66.43 -65.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -40.65 -39.48 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -63.12 -43.37 98.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.9 m -71.4 -48.43 49.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -43.17 -37.49 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -60.45 -62.26 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.6 m -47.94 -60.36 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.417 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 39.0 p-10 -125.26 86.58 56.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.727 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -15.25 36.9 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 36.3 t -118.07 35.2 4.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.58 -131.82 3.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.4 p -163.13 167.07 22.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.429 ' CG2' ' HB ' ' A' ' 72' ' ' ILE . 11.0 tt -128.38 118.9 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 96.5 p -102.02 140.26 36.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -165.89 177.43 7.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.2 p -141.64 150.33 41.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.185 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 49.4 p -130.26 -67.8 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 68' ' ' PHE . 75.1 m -117.13 96.25 5.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.484 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 0.3 OUTLIER 32.64 35.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.507 ' N ' ' O ' ' A' ' 66' ' ' SER . 21.2 m-85 -145.6 168.91 19.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.7 m -127.38 154.17 45.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -145.98 127.44 15.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -113.83 100.35 8.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.429 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 86.0 mt -89.36 106.75 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.136 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -85.8 133.76 33.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -91.13 -46.29 8.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.43 -39.51 76.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -83.47 -8.77 59.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.8 mmt 54.15 47.22 23.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -160.5 158.73 29.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -98.71 117.42 33.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 38.5 tpp -89.63 112.24 23.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -83.68 143.24 30.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.463 ' N ' ' CD2' ' A' ' 82' ' ' LEU . 1.6 mm? -115.15 -41.84 3.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.501 ' OG1' ' CD1' ' A' ' 68' ' ' PHE . 2.8 t -59.99 -44.36 94.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.4 p -107.43 -25.68 11.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.62 6.76 85.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.457 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -75.38 171.08 14.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -126.44 151.65 47.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 33.0 mtm180 -144.37 170.95 15.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.451 HD22 ' N ' ' A' ' 89' ' ' LEU . 4.2 mm? -108.6 158.64 17.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 30.0 pt -143.09 145.75 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -148.35 154.66 40.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 20.1 ttp85 -115.88 101.29 8.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -128.06 154.51 78.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 152.15 69.19 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.641 2.228 . . . . 0.0 112.364 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 19' ' ' GLN . 20.5 p90 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.6 m . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.775 0.322 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -92.32 139.58 30.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -109.65 119.78 40.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.75 163.11 14.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.505 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 10.9 m95 -112.93 153.81 27.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.798 0.332 . . . . 0.0 110.921 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 22' ' ' TRP . 15.9 m-85 -145.49 156.46 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -137.76 142.54 40.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.418 ' HB2' ' CZ2' ' A' ' 31' ' ' TRP . 39.3 tp -72.07 136.08 46.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.71 158.99 16.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -57.27 -35.49 69.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -59.65 -30.11 68.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.29 -40.56 1.96 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.499 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -79.85 144.17 33.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.32 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.418 ' CZ2' ' HB2' ' A' ' 25' ' ' LEU . 25.5 m95 -84.05 138.7 32.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -119.12 123.23 43.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.4 ttt -52.75 154.53 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.811 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.505 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 20.2 m-85 -70.08 135.43 49.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.57 0.7 . . . . 0.0 110.931 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.46 HG21 ' CD1' ' A' ' 49' ' ' ILE . 26.7 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.879 0.371 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.458 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 15.0 m -90.26 158.87 16.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.1 p -38.79 -43.82 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -54.97 -57.46 11.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -51.36 -51.91 50.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.46 ' CD1' HG21 ' A' ' 44' ' ' VAL . 5.0 mp -55.7 -62.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.486 ' OE2' ' CG ' ' A' ' 54' ' ' LYS . 13.9 tm-20 -48.81 -55.85 10.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -42.93 -41.96 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.2 m -72.35 -59.68 2.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -42.29 -28.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.486 ' CG ' ' OE2' ' A' ' 50' ' ' GLU . 35.3 mtmt -64.26 -62.93 1.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.5 t -62.35 -44.46 96.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 23.3 p-10 -119.52 81.43 23.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -16.85 37.89 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.724 2.283 . . . . 0.0 112.339 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 68.4 m -125.53 36.75 4.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.99 -140.39 5.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.2 p -162.3 141.07 9.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.833 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.447 ' CG2' ' HB ' ' A' ' 72' ' ' ILE . 11.5 tt -102.63 102.65 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 83.2 p -87.0 123.49 32.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 13.3 p90 -146.99 138.02 23.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.6 p -117.69 118.63 32.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.175 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.8 p -86.0 -174.8 5.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.187 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 68' ' ' PHE . 2.7 t -45.03 116.72 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' SER . 11.5 ptpt 38.0 28.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 66' ' ' SER . 4.7 m-85 -136.44 164.63 27.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.1 m -136.18 145.07 45.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.552 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 89.7 m-85 -154.28 133.54 12.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.5 tttp -127.98 108.8 10.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.447 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 92.0 mt -98.72 98.57 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -84.74 128.19 34.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -84.4 -46.42 11.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.33 -44.87 54.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -82.8 -2.69 55.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.6 mmt 47.27 47.46 16.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -153.75 161.5 42.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.461 ' NE2' ' OD1' ' A' ' 81' ' ' ASN . 15.6 tt0 -100.18 116.44 32.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.469 ' HA ' ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -92.37 106.52 18.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.461 ' OD1' ' NE2' ' A' ' 79' ' ' GLN . 2.5 m120 -87.95 132.43 34.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.583 ' N ' ' CD2' ' A' ' 82' ' ' LEU . 0.7 OUTLIER -109.17 -39.9 5.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.432 HG23 ' CG2' ' A' ' 84' ' ' THR . 5.5 t -44.94 -44.34 9.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.156 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.432 ' CG2' HG23 ' A' ' 83' ' ' THR . 6.8 p -112.96 -25.25 9.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.89 30.67 20.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -96.11 174.0 7.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.694 0.283 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -123.68 127.47 48.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -128.5 177.39 7.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.2 mt -119.59 166.4 13.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.7 pt -144.99 174.57 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -171.46 155.13 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.1 ttp85 -117.83 128.33 54.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -161.34 156.35 20.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 0.0 111.069 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 161.69 44.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.258 . . . . 0.0 112.357 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.9 m . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.731 0.3 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -103.47 130.37 50.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -98.49 125.03 43.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.54 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -107.28 158.23 15.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.508 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.511 ' CZ2' ' HD3' ' A' ' 92' ' ' ARG . 12.5 m95 -110.32 160.75 16.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 22' ' ' TRP . 47.1 m-85 -156.09 159.15 38.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.446 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 14.5 p90 -144.94 124.84 13.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.9 tp -48.27 140.66 7.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -109.75 175.74 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -75.81 -17.62 59.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.3 m -78.23 0.56 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.9 -44.69 1.78 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -82.26 172.15 13.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.79 0.329 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -97.39 149.58 21.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -125.78 127.69 46.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.3 ttt -56.02 140.66 42.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.428 ' CD2' ' HB3' ' A' ' 22' ' ' TRP . 16.6 m-85 -58.79 136.79 57.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.6 0.714 . . . . 0.0 110.919 -179.938 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.465 HG23 ' CD2' ' A' ' 63' ' ' PHE . 16.7 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.838 0.352 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 46' ' ' SER . 14.1 m -81.98 157.22 24.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 45' ' ' SER . 31.1 p -35.23 -38.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -60.39 -57.52 12.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.61 -65.59 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.1 mp -42.79 -56.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -54.41 -44.32 72.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -57.34 -30.28 64.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.0 t -76.15 -63.84 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 57' ' ' PRO . 7.4 t80 -45.83 -25.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -53.25 -51.14 63.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.411 ' CG2' ' N ' ' A' ' 56' ' ' ASN . 1.4 t -85.78 -39.04 17.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.436 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 22.9 p-10 -122.38 81.46 46.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.602 0.715 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.564 ' HB3' ' CE1' ' A' ' 53' ' ' PHE . 54.1 Cg_endo -69.71 -21.05 34.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.236 . . . . 0.0 112.364 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.0 t -119.13 34.43 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -116.72 -133.29 5.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.5 p -164.4 147.55 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.868 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.47 ' CG2' ' HB ' ' A' ' 72' ' ' ILE . 17.1 tt -114.82 115.34 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.6 p -100.09 115.22 29.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 39.0 p90 -132.36 160.66 35.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.0 p -129.16 155.92 44.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 66' ' ' SER . 36.5 p -141.58 -175.01 4.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.096 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.484 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 58.0 m -33.39 99.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.574 ' HE2' ' CZ ' ' A' ' 68' ' ' PHE . 2.1 pttm 37.11 48.73 0.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.574 ' CZ ' ' HE2' ' A' ' 67' ' ' LYS . 18.2 m-85 -149.19 163.72 36.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.8 m -136.27 146.22 46.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.57 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 98.1 m-85 -152.25 137.55 17.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.3 tttt -129.79 106.44 8.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.47 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 91.1 mt -93.78 97.41 7.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -80.83 112.94 18.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -70.43 -48.96 53.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.14 -35.67 36.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -95.09 -3.37 48.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.4 mmt 46.84 53.23 10.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -158.29 148.74 20.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.449 ' NE2' HH21 ' A' ' 88' ' ' ARG . 43.9 tt0 -95.12 103.61 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 49.1 tpp -78.14 113.25 15.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.536 ' OD1' ' CE1' ' A' ' 70' ' ' TYR . 21.6 t30 -85.96 140.51 30.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.584 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.6 OUTLIER -114.57 -48.4 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.4 t -39.82 -43.02 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.2 p -116.57 -24.2 7.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.78 20.05 41.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -87.72 170.17 11.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 -122.74 154.32 38.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.449 HH21 ' NE2' ' A' ' 79' ' ' GLN . 36.1 mtm180 -155.07 161.12 41.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -101.49 155.64 17.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 16.4 pt -131.42 158.63 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.453 ' CG ' ' HB2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -148.89 152.84 37.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.511 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 18.0 ttp85 -121.09 106.53 11.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -133.31 152.66 79.78 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.614 0.721 . . . . 0.0 111.089 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 145.94 58.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.54 ' CE1' ' HA3' ' A' ' 21' ' ' GLY . 28.1 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.1 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.755 0.312 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.405 ' CD ' ' HB2' ' A' ' 95' ' ' PHE . 28.6 pt20 -76.03 132.6 40.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -107.72 120.02 41.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -109.14 171.61 15.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.563 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 8.8 m95 -123.31 152.14 41.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.839 0.352 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 22' ' ' TRP . 15.8 m-85 -141.62 154.21 45.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.464 ' CD2' ' O ' ' A' ' 32' ' ' HIS . 45.1 p90 -137.11 124.55 22.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.7 tp -50.16 154.37 1.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . -118.61 146.66 44.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -50.37 -34.53 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 73.6 m -67.34 -26.34 66.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.38 -40.73 1.81 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -78.97 133.75 36.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.736 0.303 . . . . 0.0 110.936 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 22.2 m95 -74.35 149.02 40.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.464 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 72.4 m-70 -128.24 127.3 42.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.507 ' HE1' ' CZ ' ' A' ' 95' ' ' PHE . 7.2 ttp -62.32 142.91 57.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 60.1 m-85 -55.68 165.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.608 0.718 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.46 HG23 ' CG1' ' A' ' 49' ' ' ILE . 28.5 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.806 0.336 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.2 m -81.19 166.85 20.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.83 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 p -43.44 -35.18 1.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -68.68 -61.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.57 -42.15 7.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.46 ' CG1' HG23 ' A' ' 44' ' ' VAL . 19.0 mt -66.09 -63.7 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.425 ' HB2' ' CD1' ' A' ' 22' ' ' TRP . 13.0 tm-20 -40.36 -42.28 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -63.52 -52.0 63.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.1 t -55.11 -38.01 67.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -63.94 -40.13 95.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -52.2 -64.15 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.3 t -62.92 -47.38 83.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -117.82 84.52 20.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.673 0.749 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -9.07 25.2 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.667 2.244 . . . . 0.0 112.337 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.5 p -122.67 -22.38 5.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.75 174.41 39.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.435 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.52 153.17 44.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 110.856 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.484 ' CG2' ' O ' ' A' ' 61' ' ' ILE . 17.2 tt -106.67 106.59 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.8 p -90.3 116.75 28.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 52.6 p90 -133.38 172.48 12.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.1 p -145.56 137.81 25.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.2 t -175.34 133.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.49 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 1.3 t 74.99 55.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.485 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 8.2 ptmt 34.62 34.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.49 ' CD2' ' O ' ' A' ' 66' ' ' SER . 31.7 m-85 -151.09 119.15 6.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.4 m -80.36 157.54 26.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.548 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 60.9 m-85 -153.82 136.71 15.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 80' ' ' MET . 31.2 tttt -126.89 126.39 43.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.4 mt -112.45 111.07 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -90.81 134.47 34.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -89.66 -47.1 8.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.62 -56.99 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -71.69 -4.33 26.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.422 ' C ' HG12 ' A' ' 90' ' ' ILE . 3.5 mmt 50.65 48.61 22.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -155.93 161.59 40.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -99.99 121.59 41.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.469 ' N ' ' O ' ' A' ' 71' ' ' LYS . 40.0 tpp -94.24 116.47 28.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -87.63 145.22 26.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.592 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.6 OUTLIER -115.22 -37.71 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.432 ' OG1' ' CD1' ' A' ' 68' ' ' PHE . 5.1 t -61.1 -50.0 75.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.0 p -108.62 -25.87 10.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.33 22.34 54.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -76.98 173.83 11.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.748 0.309 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -135.99 140.56 44.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -154.26 133.86 12.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.9 mp -70.39 165.99 21.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.422 HG12 ' C ' ' A' ' 77' ' ' MET . 20.1 pt -137.75 166.08 25.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.3 pttt -159.38 148.49 18.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.919 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.8 ttp85 -110.77 114.83 28.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -146.43 154.24 48.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.529 0.68 . . . . 0.0 111.102 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 145.02 55.99 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.345 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.507 ' CZ ' ' HE1' ' A' ' 33' ' ' MET . 24.3 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.761 0.315 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -86.26 130.44 34.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -93.03 120.86 33.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -108.06 168.54 13.86 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -120.77 129.36 53.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.755 0.312 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -123.46 147.47 47.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 32' ' ' HIS . 33.9 p90 -128.82 131.07 47.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.566 HD12 ' CZ2' ' A' ' 31' ' ' TRP . 10.2 tt -72.52 123.63 23.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.1 156.84 29.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.071 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -53.63 -35.67 61.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 m -65.74 -33.48 75.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.14 33.38 1.25 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -131.98 123.21 26.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.771 0.319 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.566 ' CZ2' HD12 ' A' ' 25' ' ' LEU . 59.2 m95 -77.74 110.13 12.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.403 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 88.6 m-70 -108.11 128.94 55.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.841 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.441 ' HE3' ' CZ ' ' A' ' 95' ' ' PHE . 4.0 ttt -57.66 154.3 11.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.57 ' CE1' HD13 ' A' ' 49' ' ' ILE . 16.8 m-85 -75.29 120.55 20.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.557 0.694 . . . . 0.0 110.912 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.836 0.35 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.3 m -84.52 160.07 20.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.7 p -44.01 -28.42 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 48' ' ' ASP . 31.9 tt0 -63.64 -70.36 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' GLU . 6.4 t0 -36.82 -57.94 0.78 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.57 HD13 ' CE1' ' A' ' 34' ' ' PHE . 20.1 mt -50.78 -62.4 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -45.91 -43.65 13.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -59.07 -47.24 85.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.9 m -65.43 -33.27 75.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 53' ' ' PHE . 5.1 t80 -74.86 -34.94 62.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -60.53 -55.86 28.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -54.02 -35.58 62.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -151.41 105.0 2.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.647 0.737 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -18.09 37.19 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.337 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.0 p -115.69 40.35 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.55 -152.28 9.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.533 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.5 p -155.53 143.19 19.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 61' ' ' ILE . 18.3 tt -108.19 100.8 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.2 p -85.49 118.48 25.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 12.0 p90 -145.79 134.25 21.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.5 p -116.0 128.72 55.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.2 p -97.98 -175.22 3.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 68' ' ' PHE . 13.8 t -42.65 119.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER 34.04 32.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.544 ' CE2' ' OG1' ' A' ' 83' ' ' THR . 5.4 m-85 -142.81 161.79 37.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.459 ' CB ' ' HB2' ' A' ' 82' ' ' LEU . 12.0 m -135.49 147.36 48.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.563 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 92.8 m-85 -154.38 131.6 11.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -129.29 105.15 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.461 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 83.9 mt -92.34 97.32 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.6 116.4 18.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -74.51 -49.86 20.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.25 -52.81 14.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.128 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -75.62 -6.07 48.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.403 ' C ' HG12 ' A' ' 90' ' ' ILE . 5.3 mmt 52.35 52.86 13.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.7 pttt -161.26 155.69 23.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 88' ' ' ARG . 24.5 tt0 -97.9 116.32 29.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 52.4 tpp -91.2 111.83 23.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.497 ' OD1' ' CE1' ' A' ' 70' ' ' TYR . 16.4 t30 -82.51 140.33 33.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.8 OUTLIER -115.88 -41.61 3.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.544 ' OG1' ' CE2' ' A' ' 68' ' ' PHE . 1.9 t -43.62 -42.38 5.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.189 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 63.1 p -118.85 -25.37 6.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.12 14.12 46.61 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -76.1 170.35 16.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.733 0.301 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -123.6 129.96 51.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 79' ' ' GLN . 65.9 mtt180 -132.69 158.55 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -105.48 161.25 14.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.403 HG12 ' C ' ' A' ' 77' ' ' MET . 7.6 pt -133.32 173.0 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -167.1 153.85 8.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -113.09 109.29 18.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -140.61 148.81 54.73 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.56 0.695 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 156.11 64.32 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.372 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.441 ' CZ ' ' HE3' ' A' ' 33' ' ' MET . 8.0 m-85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.773 0.32 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -86.01 124.96 33.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -93.98 115.79 28.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.35 161.36 14.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.544 ' CZ2' ' HD3' ' A' ' 92' ' ' ARG . 18.9 m95 -109.82 147.19 33.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.803 0.335 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.508 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 26.7 m-85 -132.33 148.71 52.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.519 ' HB3' ' CE2' ' A' ' 34' ' ' PHE . 22.8 p90 -129.99 127.79 40.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.0 tp -62.71 154.48 29.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.16 163.68 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.414 ' C ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -52.66 -45.85 66.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 m -60.0 -31.55 70.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.61 41.25 1.04 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -132.81 138.05 46.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.758 0.313 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -82.87 113.79 20.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -102.95 116.15 31.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.541 ' HE1' ' CE2' ' A' ' 95' ' ' PHE . 25.3 ttt -52.66 113.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.546 ' CD1' HD12 ' A' ' 49' ' ' ILE . 13.1 m-85 -34.73 127.5 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.658 0.742 . . . . 0.0 110.896 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.419 HG22 ' CE2' ' A' ' 63' ' ' PHE . 27.6 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.818 0.342 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.0 m -84.8 164.4 18.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.6 p -39.02 -43.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -42.47 -59.29 1.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -56.98 -61.85 2.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.546 HD12 ' CD1' ' A' ' 34' ' ' PHE . 4.5 mp -43.09 -40.22 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -70.19 -67.75 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -40.92 -36.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 t -69.82 -54.05 15.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.487 ' HA ' ' CE2' ' A' ' 74' ' ' PHE . 38.8 t80 -50.98 -44.23 60.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -50.13 -57.93 6.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.3 m -46.05 -46.22 16.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -147.09 105.05 3.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.634 0.731 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -13.78 35.14 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.712 2.275 . . . . 0.0 112.347 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.6 p -121.39 41.06 3.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.25 -165.23 11.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.1 p -133.19 149.11 52.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.469 ' CG2' ' HB ' ' A' ' 72' ' ' ILE . 7.8 tt -110.22 107.79 23.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.9 p -97.75 113.23 24.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 17.7 p90 -133.46 151.65 51.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.7 p -123.53 126.16 46.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 66' ' ' SER . 2.1 p -87.19 -175.69 5.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.193 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 65' ' ' THR . 5.1 p -34.09 -71.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.475 ' HG3' ' CE2' ' A' ' 68' ' ' PHE . 12.9 ptpt -131.62 47.11 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.475 ' CE2' ' HG3' ' A' ' 67' ' ' LYS . 81.6 m-85 -159.01 161.74 36.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.5 m -128.19 153.0 47.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.563 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 97.1 m-85 -154.08 136.88 15.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.4 ttmt -122.88 107.36 11.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.469 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 75.8 mt -102.94 103.01 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.08 131.67 34.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.487 ' CE2' ' HA ' ' A' ' 53' ' ' PHE . 30.5 m-85 -84.28 -47.17 11.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.22 -44.55 68.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -77.58 -9.65 59.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.6 mmt 53.32 46.35 26.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -162.04 150.15 14.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.434 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 31.4 tt0 -95.2 119.94 34.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 45.2 ttm -91.95 112.46 24.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.472 ' HB3' ' N ' ' A' ' 86' ' ' LYS . 24.3 t-20 -83.07 145.45 29.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -119.47 -44.33 2.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 t -54.18 -41.29 68.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.8 p -113.86 -24.54 9.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.89 14.18 65.36 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.493 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.472 ' N ' ' HB3' ' A' ' 81' ' ' ASN . 3.3 mmmm -73.53 173.81 9.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.727 0.299 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -142.02 137.25 30.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.434 ' CG ' ' HB3' ' A' ' 79' ' ' GLN . 14.0 ptp180 -148.92 166.75 27.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.7 mp -98.91 165.27 11.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.1 pt -139.1 144.39 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -136.27 153.11 51.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.544 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 26.1 ttp85 -119.8 112.25 19.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -148.27 163.38 26.86 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 160.94 47.83 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.62 2.213 . . . . 0.0 112.311 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.541 ' CE2' ' HE1' ' A' ' 33' ' ' MET . 17.1 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.0 m . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.742 0.306 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -90.27 121.65 32.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.421 ' HB3' ' NH1' ' A' ' 92' ' ' ARG . 90.1 m95 -88.32 124.28 33.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.07 157.11 15.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.535 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.473 ' NE1' ' HD2' ' A' ' 92' ' ' ARG . 14.4 m95 -104.88 136.38 44.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.479 ' CE2' ' SD ' ' A' ' 33' ' ' MET . 34.1 m-85 -129.58 168.12 16.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 34' ' ' PHE . 29.0 p90 -152.89 125.71 8.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.428 ' HG ' ' N ' ' A' ' 26' ' ' ALA . 40.4 tp -55.32 157.57 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.428 ' N ' ' HG ' ' A' ' 25' ' ' LEU . . . -116.47 162.41 17.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.079 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -50.1 -52.21 36.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.8 m -61.43 -31.74 71.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.89 43.13 0.69 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.453 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 13.8 tptt -135.35 117.56 15.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.938 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -69.7 121.64 17.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.48 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 39.6 m-70 -113.55 118.31 34.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.565 ' HE2' ' CZ ' ' A' ' 95' ' ' PHE . 5.1 ttt -58.19 120.02 7.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.569 ' CD1' HD13 ' A' ' 49' ' ' ILE . 84.5 m-85 -40.04 146.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 0.0 110.936 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.837 0.351 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.29 149.47 26.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 76.8 p -42.13 -34.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -59.94 -45.68 91.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.06 -63.04 1.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.569 HD13 ' CD1' ' A' ' 34' ' ' PHE . 42.9 mt -45.85 -40.54 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 52' ' ' SER . 0.4 OUTLIER -73.28 -67.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -36.7 -29.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 50' ' ' GLU . 54.5 m -77.35 -67.52 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 2.1 t80 -42.53 -25.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.29 -66.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.4 t -71.21 -43.94 66.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.462 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 18.6 p-10 -113.32 77.69 3.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -13.13 34.06 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.0 m -125.91 37.1 4.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.47 -133.71 4.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.4 p -168.56 164.17 12.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.363 . . . . 0.0 110.813 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.5 tt -137.34 106.26 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.5 p -83.99 139.44 32.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -166.55 176.15 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.832 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.7 p -129.39 162.78 27.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.113 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 65.2 p -133.81 -73.27 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 11.3 m -124.31 89.08 3.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 66' ' ' SER . 0.0 OUTLIER 48.13 30.64 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.537 ' CD1' ' OG1' ' A' ' 83' ' ' THR . 21.0 m-85 -142.99 168.54 19.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 m -126.51 153.69 44.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.548 ' CE1' HG21 ' A' ' 83' ' ' THR . 82.4 m-85 -152.59 131.19 12.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -113.32 99.41 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 77.4 mt -81.02 102.3 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.32 119.93 29.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.417 ' CE1' ' CH2' ' A' ' 22' ' ' TRP . 23.2 m-85 -79.44 -43.57 23.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.78 -30.11 9.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.061 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -103.73 -6.85 21.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.414 ' C ' HG12 ' A' ' 90' ' ' ILE . 76.8 mmm 55.14 50.31 15.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -161.09 156.5 24.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -95.12 145.82 24.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.5 tpp -107.42 121.89 45.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -96.42 105.8 17.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.478 HD11 ' N ' ' A' ' 82' ' ' LEU . 2.0 mp -93.19 -12.12 31.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.548 HG21 ' CE1' ' A' ' 70' ' ' TYR . 5.5 t -81.13 -38.25 27.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 74.2 p -115.94 -25.99 7.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.37 35.67 10.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -108.53 175.72 5.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.725 0.298 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -118.72 129.25 55.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 mtm-85 -123.7 144.37 49.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.0 mt -95.9 154.39 17.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.414 HG12 ' C ' ' A' ' 77' ' ' MET . 21.3 pt -132.5 145.98 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.1 pttm -134.06 145.65 49.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.473 ' HD2' ' NE1' ' A' ' 22' ' ' TRP . 6.0 ttt85 -120.1 107.34 12.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.406 ' CB ' ' HD2' ' A' ' 94' ' ' PRO . . . -141.84 165.68 26.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.533 0.682 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.406 ' HD2' ' CB ' ' A' ' 93' ' ' ALA . 53.2 Cg_endo -69.84 150.51 67.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.642 2.228 . . . . 0.0 112.312 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.565 ' CZ ' ' HE2' ' A' ' 33' ' ' MET . 12.3 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.3 m . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.743 0.306 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -88.79 118.91 28.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -86.57 119.42 26.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.556 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -102.4 174.16 23.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.492 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 24.1 m95 -123.56 144.91 49.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 110.922 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 25.1 m-85 -141.51 164.98 28.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.479 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 8.4 p90 -146.78 130.44 16.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.474 HD12 ' CZ2' ' A' ' 31' ' ' TRP . 2.9 tt -65.84 109.21 2.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.09 167.07 21.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.121 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 28' ' ' CYS . 7.7 pt-20 -64.3 -35.74 81.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 20.2 m -62.11 -30.23 70.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.72 -38.48 2.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.511 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -78.62 138.18 38.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.474 ' CZ2' HD12 ' A' ' 25' ' ' LEU . 28.2 m95 -77.6 127.85 33.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -105.32 112.72 25.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.563 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 10.1 ttt -57.38 142.05 45.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.568 ' CD2' HD12 ' A' ' 49' ' ' ILE . 65.4 m-85 -60.2 135.42 57.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.566 0.698 . . . . 0.0 110.912 -179.913 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.504 HG12 ' CD2' ' A' ' 63' ' ' PHE . 34.4 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.817 0.342 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 46' ' ' SER . 58.8 m -91.79 154.23 19.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 45' ' ' SER . 82.0 p -34.33 -41.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -57.33 -58.51 7.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.46 -52.69 7.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.568 HD12 ' CD2' ' A' ' 34' ' ' PHE . 3.8 mp -66.42 -64.89 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -41.87 -33.16 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -61.41 -60.41 3.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.2 m -58.69 -40.98 85.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.463 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 25.1 t80 -61.34 -52.51 64.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -48.54 -60.22 2.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 56' ' ' ASN . 7.7 t -55.7 -42.94 75.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.432 ' N ' HG23 ' A' ' 55' ' ' THR . 53.8 t30 -137.47 105.04 8.44 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.627 0.727 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -20.19 34.87 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.669 2.246 . . . . 0.0 112.335 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 m -115.68 41.2 2.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.81 -167.13 13.05 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.545 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.2 p -138.18 169.42 17.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.1 tt -140.46 117.62 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.1 t -99.4 144.36 28.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.504 ' CD2' HG12 ' A' ' 44' ' ' VAL . 29.9 p90 -164.97 173.94 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.414 HG23 ' C ' ' A' ' 63' ' ' PHE . 68.8 p -142.27 153.9 44.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 p -104.42 -74.96 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.7 t -126.49 -72.57 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -128.27 28.87 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -140.53 173.83 11.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.6 m -131.5 155.67 47.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.409 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 66.7 m-85 -151.85 130.98 12.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -121.39 117.44 26.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 92.7 mt -101.62 110.73 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -92.34 128.59 38.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.463 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 18.6 m-85 -85.59 -49.36 8.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.15 -36.2 50.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.071 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -86.41 -10.23 54.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 mmt 55.23 44.12 28.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -159.53 164.79 34.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -100.06 123.64 44.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.9 tpp -91.23 116.92 29.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.568 ' ND2' ' HG1' ' A' ' 84' ' ' THR . 0.1 OUTLIER -87.04 141.91 28.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.576 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.7 OUTLIER -120.55 -49.61 2.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.402 ' CG2' HD22 ' A' ' 81' ' ' ASN . 2.9 t -52.8 -48.37 66.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.568 ' HG1' ' ND2' ' A' ' 81' ' ' ASN . 32.5 p -104.99 -25.97 12.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.63 13.67 75.14 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.456 ' N ' ' HB3' ' A' ' 81' ' ' ASN . 4.6 mptt -76.12 175.28 9.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.738 0.304 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.63 141.2 52.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -146.72 155.6 42.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.433 ' N ' HD21 ' A' ' 89' ' ' LEU . 4.5 mm? -104.39 157.39 17.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 42.1 pt -132.62 146.77 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -138.1 140.65 40.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.485 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 39.0 ttp85 -110.41 100.61 9.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -126.21 152.67 73.88 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.606 0.717 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 149.22 66.65 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.73 2.286 . . . . 0.0 112.291 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.556 ' CE1' ' HA3' ' A' ' 21' ' ' GLY . 31.8 m-85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.8 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.764 0.316 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -81.74 126.57 31.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -104.65 111.62 24.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.98 167.77 30.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.55 ' CH2' ' CD1' ' A' ' 74' ' ' PHE . 22.8 m95 -119.53 138.69 53.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.758 0.313 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.567 ' CZ ' ' HE3' ' A' ' 33' ' ' MET . 3.6 m-85 -130.06 151.92 50.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 34' ' ' PHE . 7.8 p90 -141.98 123.61 15.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.474 ' HB2' ' CE2' ' A' ' 31' ' ' TRP . 7.9 tp -51.14 134.04 27.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.75 177.31 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -76.67 -41.49 45.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 t -59.36 -30.65 68.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.74 -41.29 1.51 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -79.58 136.93 36.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.766 0.317 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.474 ' CE2' ' HB2' ' A' ' 25' ' ' LEU . 15.9 m95 -73.42 141.94 46.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.412 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 39.0 m-70 -119.54 113.45 20.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.567 ' HE3' ' CZ ' ' A' ' 23' ' ' PHE . 2.8 ttt -62.38 120.33 10.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 24' ' ' TYR . 96.0 m-85 -38.29 129.74 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.849 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.471 HG21 ' CG1' ' A' ' 49' ' ' ILE . 3.9 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.857 0.361 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.24 146.15 23.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.9 p -42.12 -28.24 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -74.95 -51.45 13.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -45.79 -63.33 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.471 ' CG1' HG21 ' A' ' 44' ' ' VAL . 19.5 mt -49.37 -52.93 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.455 ' C ' ' OE1' ' A' ' 50' ' ' GLU . 2.2 tm-20 -51.94 -61.34 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -39.12 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 50' ' ' GLU . 8.0 t -77.92 -48.11 17.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.443 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 7.3 t80 -59.1 -24.69 63.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -53.75 -61.61 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -78.48 -31.63 47.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -116.41 74.95 6.23 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -23.78 30.59 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.71 2.274 . . . . 0.0 112.333 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.407 ' C ' ' HB3' ' A' ' 75' ' ' ALA . 30.8 p -127.25 36.78 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.27 -142.88 6.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 p -151.83 139.61 19.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.532 HG22 ' CZ ' ' A' ' 74' ' ' PHE . 5.7 tt -104.51 117.59 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 90.5 p -93.95 124.32 37.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.526 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 10.6 p90 -146.6 133.0 19.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.7 p -118.4 136.14 53.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.185 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 t -155.01 133.34 11.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.478 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 1.4 t 69.46 53.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 66' ' ' SER . 7.4 ptpp? 46.26 29.93 0.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.426 ' CD2' ' OG1' ' A' ' 83' ' ' THR . 2.4 m-85 -122.82 172.1 8.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.2 p -134.75 129.81 35.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.809 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.526 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 68.4 m-85 -138.66 138.97 38.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.455 ' CB ' HD22 ' A' ' 82' ' ' LEU . 25.5 ttpt -133.86 114.72 13.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 74.3 mt -96.14 115.13 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.36 114.3 25.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.55 ' CD1' ' CH2' ' A' ' 22' ' ' TRP . 20.4 m-85 -81.54 -45.61 15.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.407 ' HB3' ' C ' ' A' ' 58' ' ' CYS . . . -51.88 -42.18 62.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.061 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -88.91 1.09 55.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.7 mmt 49.29 52.15 14.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -160.76 159.48 30.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.502 ' NE2' ' OD1' ' A' ' 81' ' ' ASN . 6.7 tm0? -100.91 121.05 41.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 71' ' ' LYS . 25.1 ttm -97.87 112.98 24.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.502 ' OD1' ' NE2' ' A' ' 79' ' ' GLN . 15.3 m-20 -89.14 140.51 29.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 1.3 mm? -112.97 -23.37 10.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.426 ' OG1' ' CD2' ' A' ' 68' ' ' PHE . 9.2 t -65.8 -40.22 91.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.7 t -124.79 -20.57 4.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.54 16.27 66.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -73.16 146.46 45.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.704 0.288 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -101.13 131.54 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -134.27 178.9 6.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.9 mt -125.35 154.13 42.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 10.6 pt -132.15 175.32 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -167.44 145.31 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.512 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 1.4 tpt180 -106.08 123.71 48.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -161.61 151.28 13.84 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.559 0.695 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 150.48 68.41 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.339 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.562 ' CD2' ' HE1' ' A' ' 33' ' ' MET . 44.8 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.415 ' O ' ' CD1' ' A' ' 20' ' ' TRP . 48.6 m . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.726 0.298 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -72.76 112.39 8.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.415 ' CD1' ' O ' ' A' ' 18' ' ' THR . 56.9 m95 -88.14 132.12 34.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.65 157.46 17.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.488 ' CE2' ' HD3' ' A' ' 92' ' ' ARG . 20.6 m95 -107.21 133.23 52.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.762 0.315 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 33' ' ' MET . 4.9 m-85 -133.33 157.85 44.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 32' ' ' HIS . 30.1 p90 -144.1 123.77 13.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.456 ' HG ' ' N ' ' A' ' 26' ' ' ALA . 61.8 tp -46.72 165.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.456 ' N ' ' HG ' ' A' ' 25' ' ' LEU . . . -129.66 177.98 6.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -66.27 -58.3 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.6 t -56.05 -32.77 64.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.15 38.27 0.75 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -130.88 121.46 25.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.774 0.321 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -69.97 116.23 10.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.453 ' CD2' ' HB1' ' A' ' 26' ' ' ALA . 65.1 m-70 -95.53 129.3 42.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.556 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 11.4 ttt -83.31 118.07 23.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.649 ' CD2' ' CD1' ' A' ' 49' ' ' ILE . 92.3 m-85 -37.84 148.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.647 0.737 . . . . 0.0 110.861 -179.904 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.1 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.86 0.362 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -86.77 151.4 23.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.8 p -42.09 -40.05 2.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -63.71 -53.15 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -43.66 -67.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.649 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 24.1 mt -41.99 -55.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -51.6 -49.17 62.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -46.15 -39.63 9.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.3 m -66.61 -67.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.502 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 3.0 t80 -44.09 -38.37 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -45.89 -52.21 11.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 56' ' ' ASN . 4.9 t -83.4 -40.35 19.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.159 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 31.8 p-10 -123.32 82.4 52.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.486 ' HB3' ' CE1' ' A' ' 53' ' ' PHE . 53.7 Cg_endo -69.77 -8.78 24.47 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.666 2.244 . . . . 0.0 112.38 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.7 p -125.51 37.9 4.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.02 -158.13 9.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.487 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.1 p -145.26 170.21 16.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 17.3 tt -145.53 113.59 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.1 p -93.49 130.42 39.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -155.5 170.96 20.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.5 p -132.4 170.05 15.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.1 p -121.29 -58.48 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.1 t -132.34 -73.29 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -124.94 -17.38 5.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -100.35 165.53 11.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.7 m -121.08 161.96 20.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -150.96 134.5 16.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -118.4 122.97 44.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 91.1 mt -105.96 99.22 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -93.21 103.45 15.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -57.68 -49.55 76.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.37 -42.5 31.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -81.31 -18.73 44.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.417 ' C ' HG12 ' A' ' 90' ' ' ILE . 7.1 mmt 61.76 43.63 9.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -162.46 157.24 22.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -97.24 113.88 25.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.472 ' HA ' ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -83.02 118.36 23.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.466 ' HB2' ' N ' ' A' ' 86' ' ' LYS . 2.4 m120 -81.11 143.38 32.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.558 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -111.3 -29.91 7.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 84' ' ' THR . 8.2 t -73.59 -53.34 10.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.415 ' N ' ' CG2' ' A' ' 83' ' ' THR . 69.7 p -104.33 -22.78 13.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 81.58 20.67 63.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.466 ' N ' ' HB2' ' A' ' 81' ' ' ASN . 16.7 mtmm -75.02 174.29 9.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.728 0.299 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -134.07 140.04 46.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 68.0 mtm-85 -147.52 128.88 14.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.46 ' N ' HD21 ' A' ' 89' ' ' LEU . 4.5 mm? -74.97 141.51 44.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.417 HG12 ' C ' ' A' ' 77' ' ' MET . 30.3 pt -109.95 176.83 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -165.85 151.98 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.488 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 5.8 ttp-105 -124.33 102.51 7.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -128.44 163.61 43.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.592 0.71 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 144.43 54.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.497 ' CE2' ' HE3' ' A' ' 33' ' ' MET . 16.5 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.77 0.319 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -73.06 147.01 45.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -107.28 126.02 51.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -109.64 169.23 13.58 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.47 ' NE1' ' HD2' ' A' ' 92' ' ' ARG . 26.9 m95 -119.16 132.74 56.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.76 0.314 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -133.35 143.1 48.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.455 ' HB3' ' CZ ' ' A' ' 34' ' ' PHE . 36.1 p90 -117.6 129.52 55.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.566 ' HB2' ' CH2' ' A' ' 31' ' ' TRP . 45.8 tp -56.66 145.38 28.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.74 173.57 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -76.44 -39.73 52.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.9 t -56.92 -31.91 65.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.75 -40.34 1.86 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -78.63 143.33 36.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.566 ' CH2' ' HB2' ' A' ' 25' ' ' LEU . 44.2 m95 -83.99 149.19 26.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -131.69 124.13 29.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.543 ' HE2' ' CZ ' ' A' ' 95' ' ' PHE . 7.3 ttm -56.64 160.39 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.548 ' CD2' HD11 ' A' ' 49' ' ' ILE . 45.9 m-85 -77.52 112.18 14.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 34' ' ' PHE . 2.7 mp0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.793 0.33 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 46' ' ' SER . 33.0 m -137.13 167.39 21.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' SER . 87.0 p -37.21 -37.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.857 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -69.65 -55.69 9.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.03 -61.23 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.548 HD11 ' CD2' ' A' ' 34' ' ' PHE . 19.3 mt -48.77 -49.94 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -52.53 -52.11 56.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -49.29 -43.06 42.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.0 t -63.01 -41.34 99.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.44 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 35.7 t80 -61.59 -41.47 97.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -52.62 -63.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.3 t -68.94 -30.43 68.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -126.81 81.43 69.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -30.23 22.75 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.717 2.278 . . . . 0.0 112.366 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.414 ' C ' ' HB1' ' A' ' 75' ' ' ALA . 79.4 m -122.95 45.16 2.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.99 -135.84 5.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.9 p -168.1 145.85 4.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.349 . . . . 0.0 110.826 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.5 tt -119.81 118.08 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.0 p -103.01 97.65 7.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -119.28 162.04 19.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 78.3 p -141.82 133.38 26.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 67' ' ' LYS . 77.1 p -104.38 52.01 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 t 39.94 25.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.601 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 23.1 ttpt -134.63 -51.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 67' ' ' LYS . 39.9 m-85 -158.56 137.56 11.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.1 m -77.59 132.39 38.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -129.9 143.11 50.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -129.27 101.74 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.528 HD12 ' CE2' ' A' ' 34' ' ' PHE . 65.1 mt -92.32 113.41 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -97.07 100.5 11.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.44 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 24.7 m-85 -56.36 -43.32 79.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.414 ' HB1' ' C ' ' A' ' 58' ' ' CYS . . . -54.11 -45.18 71.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.078 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -78.96 -13.44 59.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.424 ' C ' HG12 ' A' ' 90' ' ' ILE . 1.4 mmt 61.66 41.77 11.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.48 163.63 27.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -95.46 159.06 15.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 60.2 ttm -135.75 110.52 8.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -83.37 142.36 31.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.453 ' N ' HD22 ' A' ' 82' ' ' LEU . 2.1 mm? -108.45 -21.39 12.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.95 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 84' ' ' THR . 6.3 t -76.8 -45.32 29.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.423 ' N ' HG23 ' A' ' 83' ' ' THR . 70.8 p -110.39 -26.01 9.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.26 28.45 27.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -95.23 148.63 22.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.705 0.288 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -119.51 117.52 28.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -118.02 122.08 42.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.2 tp -50.01 165.79 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.424 HG12 ' C ' ' A' ' 77' ' ' MET . 38.3 pt -140.18 143.35 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.473 ' HD3' ' CD2' ' A' ' 31' ' ' TRP . 10.1 ptmm? -132.72 147.26 52.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.47 ' HD2' ' NE1' ' A' ' 22' ' ' TRP . 5.7 ttt-85 -117.88 103.88 10.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -128.25 161.4 56.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.573 0.702 . . . . 0.0 111.094 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 153.73 68.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.703 2.269 . . . . 0.0 112.338 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.543 ' CZ ' ' HE2' ' A' ' 33' ' ' MET . 11.1 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 85.9 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.704 0.288 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -88.67 131.4 35.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -101.16 124.16 46.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.88 162.68 12.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.447 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.511 ' CE2' ' HD3' ' A' ' 92' ' ' ARG . 12.9 m95 -106.55 145.65 31.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.429 ' CE2' ' HG3' ' A' ' 33' ' ' MET . 72.1 m-85 -140.9 155.37 46.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' A' ' 32' ' ' HIS . 24.7 p90 -137.27 125.34 22.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.451 ' HB2' ' CZ3' ' A' ' 31' ' ' TRP . 15.4 tp -55.45 145.98 21.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.03 167.57 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.078 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -64.22 -40.72 96.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.2 t -57.62 -32.33 67.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.78 -38.8 2.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -79.42 136.12 36.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.451 ' CZ3' ' HB2' ' A' ' 25' ' ' LEU . 36.9 m95 -72.56 143.7 48.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.466 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 39.9 m-70 -119.8 127.74 53.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.547 ' HE1' ' CZ ' ' A' ' 95' ' ' PHE . 5.3 ttt -64.48 146.61 54.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 51.6 m-85 -66.04 156.19 34.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.534 0.683 . . . . 0.0 110.938 -179.909 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.894 0.378 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -80.06 160.96 25.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.0 p -45.43 -37.35 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -53.51 -70.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -42.41 -62.36 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 17.7 mt -47.48 -60.19 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -47.98 -48.24 32.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -52.15 -47.1 65.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.1 m -68.17 -35.06 77.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.413 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 44.2 t80 -63.72 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -61.67 -64.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.6 t -63.92 -36.62 84.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -123.75 76.79 56.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.73 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -28.84 24.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.643 2.229 . . . . 0.0 112.385 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.415 ' C ' ' HB2' ' A' ' 75' ' ' ALA . 28.2 p -116.88 34.41 5.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.93 -137.4 5.58 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.425 ' CB ' ' HA ' ' A' ' 73' ' ' ASP . 23.8 p -161.65 147.14 13.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 110.871 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.1 tt -115.08 107.91 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.5 p -89.34 121.4 31.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 7.1 p90 -144.12 134.66 24.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.2 p -113.39 116.68 30.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 67' ' ' LYS . 64.6 p -88.33 139.7 30.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.7 t -40.11 -25.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 65' ' ' THR . 32.8 ttmt -84.35 -58.21 2.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.417 ' CD2' ' HG2' ' A' ' 67' ' ' LYS . 30.7 m-85 -149.36 176.32 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.9 m -102.95 150.51 23.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.572 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 81.8 m-85 -154.5 142.81 20.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -134.25 100.21 4.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.6 mt -85.32 108.52 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.425 ' HA ' ' CB ' ' A' ' 60' ' ' SER . 2.7 m-20 -92.01 97.14 10.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.413 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 23.8 m-85 -53.92 -48.07 70.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.415 ' HB2' ' C ' ' A' ' 58' ' ' CYS . . . -49.78 -41.32 44.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -83.46 -16.28 46.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.42 ' C ' HG12 ' A' ' 90' ' ' ILE . 5.1 mmt 62.48 44.71 6.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.8 162.93 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.461 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 15.3 tt0 -95.02 132.07 40.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.0 tpp -93.98 94.16 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -74.67 113.28 11.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 mt -99.22 -39.83 8.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.9 t -57.71 -39.32 76.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.0 p -108.26 -25.94 10.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.99 17.18 67.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.421 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -94.37 175.3 6.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.721 0.296 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -130.06 149.04 51.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.461 ' CG ' ' HB3' ' A' ' 79' ' ' GLN . 19.3 ptp180 -153.74 145.5 23.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 89' ' ' LEU . 4.5 mm? -83.78 155.79 22.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.42 HG12 ' C ' ' A' ' 77' ' ' MET . 39.7 pt -126.4 174.7 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -164.49 148.92 9.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.511 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 18.1 ttp85 -117.52 101.64 8.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -130.12 159.93 67.87 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.722 . . . . 0.0 111.068 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 154.59 67.57 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.647 2.232 . . . . 0.0 112.359 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.547 ' CZ ' ' HE1' ' A' ' 33' ' ' MET . 21.9 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.3 m . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.692 0.282 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.547 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 15.6 mm-40 -75.92 145.05 40.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.645 ' C ' ' CE1' ' A' ' 95' ' ' PHE . 94.0 m95 -107.98 124.03 49.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.653 ' CA ' ' CZ ' ' A' ' 95' ' ' PHE . . . -113.85 152.13 18.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.517 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -105.32 133.86 49.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.814 0.34 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.448 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 27.8 m-85 -134.7 136.13 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -115.75 141.42 48.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 26' ' ' ALA . 32.5 tp -66.89 158.69 30.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.465 ' N ' ' HG ' ' A' ' 25' ' ' LEU . . . -120.03 -177.18 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.65 -36.47 73.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 t -84.27 26.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.53 38.82 82.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -126.88 127.09 44.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.566 ' CE3' ' HG2' ' A' ' 91' ' ' LYS . 60.2 m95 -83.68 123.84 30.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -104.65 149.49 25.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.448 ' HA ' ' CD2' ' A' ' 23' ' ' PHE . 18.7 ttt -75.63 127.53 33.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.464 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 4.5 m-85 -47.06 133.24 11.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 34' ' ' PHE . 62.3 mm-40 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.556 0.693 . . . . 0.0 110.939 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.459 HG11 ' CG ' ' A' ' 63' ' ' PHE . 17.8 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.843 0.354 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 47' ' ' GLU . 62.6 m -138.18 163.04 32.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 45' ' ' SER . 53.6 p -33.32 -35.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 45' ' ' SER . 14.1 tt0 -71.7 -59.49 2.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -38.96 -49.84 1.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 52' ' ' SER . 5.3 mp -62.52 -64.83 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' ILE . 38.7 tt0 -37.52 -45.77 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -61.55 -44.38 97.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 49' ' ' ILE . 66.1 m -67.6 -34.4 76.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.483 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 78.6 t80 -71.58 -37.3 71.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -61.76 -59.4 5.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.1 t -61.11 -39.01 88.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -133.08 96.14 17.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.641 0.734 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -19.54 36.1 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 81.7 m -124.1 40.71 3.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.64 165.31 16.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.8 p -111.57 150.98 29.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.349 . . . . 0.0 110.905 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.408 ' CG2' ' HB ' ' A' ' 72' ' ' ILE . 12.0 tt -119.8 103.74 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.2 p -85.02 119.71 25.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 7.3 p90 -145.15 136.7 25.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.1 p -110.53 117.68 34.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.16 -174.56 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 m -64.66 99.82 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.611 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 14.5 tptm 67.34 31.49 6.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.611 ' CD1' ' O ' ' A' ' 67' ' ' LYS . 25.1 m-85 -157.84 157.22 32.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.17 148.75 49.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.566 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 84.5 m-85 -154.51 139.0 16.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 80' ' ' MET . 4.2 ttmt -126.67 126.88 44.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.413 HD12 ' NE2' ' A' ' 79' ' ' GLN . 78.8 mt -117.85 113.08 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.19 118.87 37.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.483 ' CE1' ' HB2' ' A' ' 53' ' ' PHE . 29.4 m-85 -68.92 -53.2 22.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.59 -37.29 39.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -83.49 -15.94 47.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.8 mmt 55.56 45.01 25.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -159.44 149.85 19.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.413 ' NE2' HD12 ' A' ' 72' ' ' ILE . 33.6 tt0 -95.68 109.9 22.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 71' ' ' LYS . 35.0 tpp -85.95 112.2 20.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' ' 82' ' ' LEU . 23.6 t-20 -83.45 144.93 29.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 1.5 mm? -115.37 -41.56 3.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.8 t -47.63 -46.98 29.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.6 p -115.69 -25.08 7.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 89.89 26.95 22.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.446 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.0 mmtm -84.91 173.75 10.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.687 0.279 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -137.51 141.79 41.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -155.95 130.53 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.6 mt -63.71 161.53 14.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 45.6 pt -136.35 149.72 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.566 ' HG2' ' CE3' ' A' ' 31' ' ' TRP . 13.2 pttp -143.65 155.35 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 66.6 ttp85 -120.99 103.1 8.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -125.03 152.61 70.71 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.567 0.699 . . . . 0.0 111.077 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 141.94 46.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.374 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.653 ' CZ ' ' CA ' ' A' ' 21' ' ' GLY . 6.9 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.1 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.732 0.301 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -79.4 126.38 30.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -101.32 116.92 33.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.547 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -98.11 151.57 19.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.52 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.52 ' CD2' HG21 ' A' ' 49' ' ' ILE . 9.9 m95 -107.77 140.11 41.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.769 0.319 . . . . 0.0 110.932 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -141.45 150.74 42.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.598 ' CE1' ' NH1' ' A' ' 88' ' ' ARG . 28.0 p90 -137.89 147.58 44.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.499 ' HB2' ' CE2' ' A' ' 31' ' ' TRP . 9.5 tp -75.99 116.33 16.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.71 163.97 19.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -59.38 -39.67 84.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 91.2 m -58.6 -30.74 67.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.95 -39.08 2.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.407 ' HD3' ' N ' ' A' ' 31' ' ' TRP . 3.4 tmtt? -79.78 128.41 33.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.499 ' CE2' ' HB2' ' A' ' 25' ' ' LEU . 24.3 m95 -67.36 132.9 48.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -100.68 129.77 46.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.568 ' HE3' ' CE1' ' A' ' 95' ' ' PHE . 13.1 ttt -67.16 128.03 34.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.422 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 6.4 m-85 -48.86 121.35 4.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.564 HG21 ' CE2' ' A' ' 63' ' ' PHE . 35.7 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.84 0.352 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 46' ' ' SER . 8.1 m -111.45 157.58 20.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.793 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 45' ' ' SER . 65.9 p -34.77 -36.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.848 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 45' ' ' SER . 2.8 tp10 -68.71 -62.66 1.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -39.2 -48.21 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.52 HG21 ' CD2' ' A' ' 22' ' ' TRP . 5.2 mp -62.18 -69.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.456 ' OE2' ' CG ' ' A' ' 54' ' ' LYS . 14.8 tm-20 -38.41 -33.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -68.91 -47.46 65.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' ILE . 22.8 t -68.3 -40.77 81.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 5.0 t80 -71.51 -30.17 65.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.456 ' CG ' ' OE2' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -53.44 -51.89 61.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.447 HG22 ' N ' ' A' ' 56' ' ' ASN . 8.9 t -81.2 -30.78 34.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.447 ' N ' HG22 ' A' ' 55' ' ' THR . 10.5 t-20 -133.01 87.48 39.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.615 0.722 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.413 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . 53.4 Cg_endo -69.71 -13.99 35.59 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.688 2.259 . . . . 0.0 112.354 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 96.3 m -122.08 33.33 5.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -105.72 -132.87 7.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.5 p -173.85 172.92 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.828 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.6 tt -152.63 106.84 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.15 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.2 t -93.87 135.38 35.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.564 ' CE2' HG21 ' A' ' 44' ' ' VAL . 54.9 p90 -160.56 175.38 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.409 HG21 ' C ' ' A' ' 63' ' ' PHE . 66.1 p -143.8 164.08 31.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.8 p -110.09 -69.94 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.2 p -127.68 -68.1 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -123.93 -18.39 5.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.54 ' CD2' ' OG1' ' A' ' 83' ' ' THR . 3.3 m-85 -99.73 153.66 18.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.436 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 18.2 m -115.71 161.82 18.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.835 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.436 ' CD1' ' O ' ' A' ' 69' ' ' SER . 52.2 m-85 -154.02 133.67 12.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.942 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -127.64 110.43 12.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 86.1 mt -88.82 99.23 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.76 117.57 23.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -78.8 -45.7 20.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.1 -33.17 17.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -97.33 -6.35 34.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.413 ' C ' HG12 ' A' ' 90' ' ' ILE . 76.5 mmm 54.82 49.24 18.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.29 161.63 27.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.91 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.46 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 19.9 tm0? -95.52 109.24 21.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -78.9 113.45 17.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.475 ' ND2' ' CG2' ' A' ' 84' ' ' THR . 10.8 t-20 -84.87 146.25 27.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 1.0 OUTLIER -115.56 -26.23 7.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.54 ' OG1' ' CD2' ' A' ' 68' ' ' PHE . 7.4 t -68.43 -42.82 78.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.475 ' CG2' ' ND2' ' A' ' 81' ' ' ASN . 0.6 OUTLIER -124.79 -21.77 4.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 85.06 13.51 71.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -75.4 127.89 34.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.706 0.289 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -89.44 147.6 23.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.598 ' NH1' ' CE1' ' A' ' 24' ' ' TYR . 4.3 ptp180 -148.31 130.04 15.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 45.2 mt -66.64 147.17 53.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.413 HG12 ' C ' ' A' ' 77' ' ' MET . 28.8 pt -123.62 170.47 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -153.26 155.55 36.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.514 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 37.0 ttp85 -131.19 97.12 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -128.37 151.84 77.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.6 0.714 . . . . 0.0 111.078 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 161.63 45.16 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.41 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.568 ' CE1' ' HE3' ' A' ' 33' ' ' MET . 23.1 m-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.4 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.702 0.287 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -76.04 119.26 19.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -90.22 127.78 36.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -115.83 163.68 12.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.538 ' CD1' ' HB2' ' A' ' 50' ' ' GLU . 11.0 m95 -112.62 158.47 19.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 33' ' ' MET . 32.9 m-85 -148.58 163.18 38.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -144.22 133.92 23.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.6 tp -59.77 160.07 7.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.63 -179.02 4.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -69.84 -29.66 66.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 67.2 m -90.69 26.24 2.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.11 37.71 64.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -126.14 127.12 45.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -84.39 109.17 17.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -87.39 161.31 17.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.573 ' HG3' ' CE2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -88.79 141.13 28.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.523 ' CD1' HD11 ' A' ' 49' ' ' ILE . 9.3 m-85 -67.61 142.06 56.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.587 0.708 . . . . 0.0 110.909 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.476 ' CG2' HD12 ' A' ' 49' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.824 0.345 . . . . 0.0 111.133 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.6 m -82.93 155.76 23.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.0 p -39.27 -51.44 2.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -43.82 -52.37 6.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.17 -70.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.523 HD11 ' CD1' ' A' ' 34' ' ' PHE . 5.3 mp -39.76 -46.45 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.538 ' HB2' ' CD1' ' A' ' 22' ' ' TRP . 37.1 tt0 -63.33 -50.85 68.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -52.75 -29.7 28.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.6 t -83.82 -30.8 26.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -71.91 -38.81 69.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -50.79 -55.13 18.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.0 t -72.64 -39.78 66.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.153 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -116.36 78.8 8.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.652 0.739 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -29.25 23.93 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.647 2.231 . . . . 0.0 112.37 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.41 ' C ' ' HB3' ' A' ' 75' ' ' ALA . 84.2 m -119.87 38.5 3.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.22 -132.79 3.95 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.513 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.6 p -168.72 145.44 3.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.4 tt -108.08 118.7 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.6 t -99.47 130.97 45.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 6.5 p90 -154.34 141.86 19.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.8 p -118.4 116.83 27.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' PHE . 77.3 p -90.17 -178.11 5.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.42 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 31.7 t -50.11 119.71 3.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 68' ' ' PHE . 7.5 ptpp? 38.04 38.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' THR . 46.0 m-85 -158.97 141.33 13.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.9 m -125.95 149.91 48.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.577 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 98.6 m-85 -152.08 167.61 27.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -155.0 105.01 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.422 HG13 ' NE2' ' A' ' 79' ' ' GLN . 36.2 mt -89.42 108.16 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.96 118.25 26.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -80.35 -44.98 18.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.41 ' HB3' ' C ' ' A' ' 58' ' ' CYS . . . -55.77 -39.28 71.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -86.79 -13.37 45.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.7 mmt 60.23 46.97 9.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -158.9 153.82 24.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.487 ' OE1' ' N ' ' A' ' 80' ' ' MET . 2.7 tp60 -95.23 132.55 40.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.487 ' N ' ' OE1' ' A' ' 79' ' ' GLN . 25.1 tpp -97.91 111.34 23.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -86.91 101.47 13.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.8 mt -86.61 -40.07 15.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.0 t -41.58 -43.0 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 69.6 p -116.8 -25.35 7.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.77 33.7 6.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -102.67 173.6 6.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.737 0.303 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -119.44 123.67 44.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 79' ' ' GLN . 35.6 mmt-85 -125.8 158.3 35.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 mp -101.72 167.84 9.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.7 pt -145.04 170.15 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -170.3 151.68 3.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.5 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 34.6 ttp85 -108.88 120.46 42.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -151.8 152.07 29.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 111.081 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 144.52 54.58 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.95 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.3 m . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.711 0.291 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -83.26 126.17 32.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -90.12 108.37 19.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.34 159.37 21.85 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.522 ' CD2' HG23 ' A' ' 49' ' ' ILE . 12.3 m95 -111.78 141.68 45.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.733 0.302 . . . . 0.0 110.982 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 9.6 m-85 -130.04 168.5 16.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.445 ' HB3' ' CE1' ' A' ' 34' ' ' PHE . 30.3 p90 -155.52 126.72 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.952 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.537 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 9.6 tt -72.72 134.11 44.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.78 179.11 4.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -64.82 -19.87 66.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.5 p -87.96 25.26 1.59 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.82 34.69 5.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -131.34 118.19 19.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.332 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.537 ' CZ2' HD13 ' A' ' 25' ' ' LEU . 44.5 m95 -74.88 106.75 6.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -91.61 115.86 28.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.556 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 6.8 ttt -58.84 115.98 3.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.445 ' CE1' ' HB3' ' A' ' 24' ' ' TYR . 30.0 m-85 -34.84 144.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.565 0.698 . . . . 0.0 110.954 -179.944 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.1 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.832 0.348 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 47' ' ' GLU . 18.7 m -123.69 159.03 30.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.838 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' SER . 89.1 p -34.48 -34.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 45' ' ' SER . 21.1 tp10 -64.24 -62.47 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -41.98 -56.37 2.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.522 HG23 ' CD2' ' A' ' 22' ' ' TRP . 5.3 mp -49.93 -40.05 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -71.01 -58.07 3.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.11 -29.71 32.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.8 m -73.65 -50.09 22.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 53' ' ' PHE . 2.1 t80 -62.47 -24.34 67.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -54.05 -56.17 20.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.426 HG21 ' N ' ' A' ' 56' ' ' ASN . 4.9 t -72.64 -38.36 67.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.426 ' N ' HG21 ' A' ' 55' ' ' THR . 11.1 t-20 -126.77 88.49 54.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.718 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.417 ' HB3' ' CE1' ' A' ' 53' ' ' PHE . 54.3 Cg_endo -69.78 -13.64 34.92 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.2 p -130.1 31.4 4.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -108.27 -143.63 10.66 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.534 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.4 p -153.31 166.05 33.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.468 ' CG2' ' HB ' ' A' ' 72' ' ' ILE . 8.6 tt -139.69 113.29 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.15 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.2 p -99.55 132.27 45.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -152.78 174.36 14.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 75.7 p -146.32 136.26 23.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.175 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.46 -75.37 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.9 t -122.72 -66.82 0.99 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.4 tptt -126.13 -9.63 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.517 ' CD2' ' OG1' ' A' ' 83' ' ' THR . 3.1 m-85 -103.74 158.76 16.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.6 m -119.48 157.11 28.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -150.73 135.63 17.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.465 ' N ' HD22 ' A' ' 82' ' ' LEU . 19.9 tttp -119.47 135.9 54.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.468 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 96.5 mt -123.02 96.93 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.55 116.68 23.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -73.36 -43.48 60.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.84 -42.63 36.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -87.15 -5.53 58.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 mmt 54.32 45.17 27.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -160.02 158.97 31.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.466 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 34.9 tt0 -98.04 123.73 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' LYS . 57.4 ttm -96.49 118.45 33.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.407 ' HB2' ' N ' ' A' ' 86' ' ' LYS . 2.4 m120 -80.31 144.78 32.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.489 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 1.6 mm? -112.99 -31.21 6.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.517 ' OG1' ' CD2' ' A' ' 68' ' ' PHE . 7.0 t -68.08 -53.2 27.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.0 p -107.8 -24.75 11.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.08 30.36 31.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.533 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.407 ' N ' ' HB2' ' A' ' 81' ' ' ASN . 14.0 mmmt -76.71 174.14 10.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.324 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -135.4 120.9 19.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.466 ' CG ' ' HB3' ' A' ' 79' ' ' GLN . 5.9 ptp180 -125.41 -178.57 4.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.6 mt -120.43 155.46 33.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.8 pt -131.34 160.69 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.414 ' HG2' ' CE3' ' A' ' 31' ' ' TRP . 15.7 pttm -151.82 144.63 24.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.487 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 5.7 ttp-105 -112.26 116.01 29.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -151.72 162.98 25.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.533 0.682 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.67 68.65 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.524 ' CD2' ' HE2' ' A' ' 33' ' ' MET . 21.1 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.8 m . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.729 0.3 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.538 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 26.0 mm-40 -75.03 146.31 41.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -108.75 105.97 15.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.47 140.15 14.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.479 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.564 ' CE3' HG21 ' A' ' 49' ' ' ILE . 8.1 m95 -91.9 146.82 23.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.74 0.305 . . . . 0.0 110.95 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -136.23 167.47 21.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -144.47 138.92 27.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.9 tp -69.59 133.55 47.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.954 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.2 -176.15 4.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.86 -55.12 25.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 72.9 m -56.41 -33.35 65.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.48 42.11 0.65 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.451 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -129.07 142.69 50.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.786 0.326 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.447 ' CE3' ' HG2' ' A' ' 91' ' ' LYS . 65.4 m95 -85.76 118.21 25.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -101.4 161.84 13.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.1 ttt -91.6 118.36 30.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -45.52 127.81 7.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.568 0.699 . . . . 0.0 110.957 -179.94 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.519 ' CG2' ' HB3' ' A' ' 48' ' ' ASP . 6.4 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.831 0.348 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 47' ' ' GLU . 1.2 m -98.8 143.83 28.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 45' ' ' SER . 13.7 p -31.98 -35.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 45' ' ' SER . 24.0 tt0 -46.75 -59.33 3.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.519 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 2.4 t0 -58.61 -69.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.564 HG21 ' CE3' ' A' ' 22' ' ' TRP . 4.2 mp -33.12 -36.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 48' ' ' ASP . 5.6 tp10 -73.96 -64.21 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.487 ' CG ' ' N ' ' A' ' 52' ' ' SER . 8.9 ptpt -48.84 -47.49 42.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.487 ' N ' ' CG ' ' A' ' 51' ' ' LYS . 8.5 t -58.24 -49.11 78.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.435 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 23.4 t80 -58.26 -43.75 88.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -50.56 -62.71 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 t -66.32 -36.07 81.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.203 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -124.64 79.94 62.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.733 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -21.36 33.69 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.734 2.289 . . . . 0.0 112.337 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.1 p -122.26 33.63 5.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -111.41 -138.71 7.68 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.8 p -168.68 131.23 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.358 . . . . 0.0 110.855 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.417 ' CG2' ' O ' ' A' ' 61' ' ' ILE . 17.8 tt -101.99 105.49 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.6 p -95.57 125.83 40.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 70' ' ' TYR . 50.0 p90 -139.33 178.95 6.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.0 p -143.54 163.09 34.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 66' ' ' SER . 4.3 p -143.31 -175.26 4.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.485 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 5.6 m -35.98 102.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.577 ' HE3' ' CE1' ' A' ' 68' ' ' PHE . 8.1 pttt 37.99 46.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.577 ' CE1' ' HE3' ' A' ' 67' ' ' LYS . 21.4 m-85 -152.5 161.05 43.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 t -129.06 150.4 50.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.57 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 82.3 m-85 -154.28 133.4 12.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' MET . 22.7 tttt -127.11 131.18 50.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 81.9 mt -120.95 98.53 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -86.01 109.27 18.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.435 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 24.0 m-85 -60.77 -45.07 95.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.15 -47.22 45.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -83.32 -2.6 56.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.1 mmt 45.61 53.01 8.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -159.71 156.7 28.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -96.08 108.74 21.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 71' ' ' LYS . 36.6 tpp -86.16 111.47 20.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.509 ' OD1' ' CE1' ' A' ' 70' ' ' TYR . 19.8 t-20 -82.86 146.31 28.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -115.83 -46.06 2.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.9 t -48.74 -46.94 41.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 45.5 p -112.84 -24.01 9.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.52 21.83 59.46 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.464 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -76.82 172.57 12.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.741 0.305 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -120.48 138.32 53.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -144.47 162.55 36.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -107.22 164.81 11.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 34.0 pt -138.93 172.03 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.447 ' HG2' ' CE3' ' A' ' 31' ' ' TRP . 36.6 pttt -171.82 154.27 3.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.502 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 31.8 ttp85 -119.06 129.75 55.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -153.0 158.11 32.94 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.609 0.719 . . . . 0.0 111.118 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 143.07 49.53 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.626 ' C ' ' CD1' ' A' ' 95' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.749 0.309 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -76.06 136.22 39.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -102.46 123.01 45.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.41 176.39 18.91 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.482 ' CH2' ' CD1' ' A' ' 74' ' ' PHE . 14.2 m95 -121.05 141.88 50.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.787 0.327 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 58.6 m-85 -132.18 156.04 47.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.437 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 37.5 p90 -137.3 129.27 29.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.5 tp -62.34 150.91 38.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -109.23 171.59 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -63.5 -44.19 95.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.2 m -62.35 -31.51 72.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.62 38.61 0.97 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -134.68 129.88 35.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 110.839 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -81.23 112.79 18.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -104.98 136.83 43.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.653 ' CE ' ' CE2' ' A' ' 95' ' ' PHE . 2.9 tpt -64.26 150.41 46.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.568 ' CZ ' HD12 ' A' ' 49' ' ' ILE . 24.1 m-85 -66.42 170.68 5.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 34' ' ' PHE . 84.3 mm-40 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.41 HG23 ' CD1' ' A' ' 49' ' ' ILE . 33.9 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.886 0.374 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 m -80.11 153.99 28.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.9 p -42.35 -35.34 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -56.61 -63.29 1.25 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -43.89 -71.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.568 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 14.7 mt -39.05 -56.91 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' LYS . 33.7 tt0 -48.79 -58.21 5.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLU . 11.1 ttpt -36.48 -38.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.2 m -78.06 -46.6 20.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 62.3 t80 -56.5 -40.63 75.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -51.39 -58.12 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.459 HG21 ' N ' ' A' ' 56' ' ' ASN . 5.3 t -69.91 -38.77 76.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.459 ' N ' HG21 ' A' ' 55' ' ' THR . 11.6 t-20 -130.85 91.94 35.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.669 0.747 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -10.76 29.32 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.715 2.276 . . . . 0.0 112.342 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 91.4 m -133.33 40.21 3.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.27 -158.56 11.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 25.5 p -144.45 149.17 35.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.368 . . . . 0.0 110.825 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.9 tt -122.27 110.32 26.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.2 p -95.21 112.61 24.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -139.17 -179.72 6.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 71.1 p -139.5 167.26 22.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 30.7 p -132.89 -48.62 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 68' ' ' PHE . 80.9 p -158.13 107.92 2.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.58 ' HE2' ' CE1' ' A' ' 68' ' ' PHE . 4.2 pttm 38.19 27.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.58 ' CE1' ' HE2' ' A' ' 67' ' ' LYS . 17.6 m-85 -139.56 173.65 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 m -136.23 146.9 47.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -140.95 136.75 32.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -124.34 125.17 43.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 91.8 mt -115.99 105.18 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.02 114.98 26.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.482 ' CD1' ' CH2' ' A' ' 22' ' ' TRP . 23.7 m-85 -69.41 -51.98 31.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -46.58 -39.72 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -82.74 -19.06 38.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.42 ' C ' HG12 ' A' ' 90' ' ' ILE . 8.6 mmt 61.65 47.0 6.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.415 ' N ' HG12 ' A' ' 90' ' ' ILE . 7.5 ptpp? -162.42 152.98 17.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -95.08 117.76 30.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 59.5 ttm -94.18 109.69 21.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -79.43 145.11 33.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.508 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 1.3 mm? -113.44 -36.97 4.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.526 ' OG1' ' CD1' ' A' ' 68' ' ' PHE . 5.2 t -62.27 -46.36 89.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.4 p -108.59 -25.92 10.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 85.0 28.83 30.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.538 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -91.22 175.39 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -144.01 146.57 32.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -157.21 121.97 4.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.3 mt -53.81 155.11 3.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.42 HG12 ' C ' ' A' ' 77' ' ' MET . 26.1 pt -129.26 157.63 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.412 ' NZ ' ' HB2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -149.66 138.9 21.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.4 ttp85 -99.49 111.81 24.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -138.49 160.78 62.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.537 0.684 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 170.16 17.24 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.653 ' CE2' ' CE ' ' A' ' 33' ' ' MET . 74.7 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 m -123.11 148.16 45.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 110.894 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.2 p -143.12 155.55 44.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.11 147.07 4.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 p -130.33 160.08 35.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.847 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.5 m -155.8 144.02 20.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.3 -51.96 0.29 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -77.25 171.31 15.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 110.924 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -154.77 135.76 13.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.6 t -118.69 101.7 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -109.49 -22.91 11.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' MET . 5.6 t70 -83.02 -9.1 59.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' ASP . 3.6 mmt 33.96 38.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -82.78 126.24 32.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 53.3 54.47 10.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 m -132.52 87.39 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -59.12 86.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.0 m -97.21 99.49 10.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.166 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -87.84 127.63 35.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -90.0 130.48 36.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.543 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -107.9 151.39 16.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.441 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 22.1 m95 -107.91 141.33 39.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.857 0.361 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -136.16 162.23 33.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -143.88 131.02 20.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.514 HD12 ' CE2' ' A' ' 31' ' ' TRP . 10.5 tp -64.37 144.52 57.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.5 -175.39 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -78.4 -33.92 48.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.9 m -70.14 -30.81 68.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.81 34.53 1.68 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -135.45 118.06 15.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.328 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.514 ' CE2' HD12 ' A' ' 25' ' ' LEU . 67.8 m95 -66.91 115.52 6.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -101.68 137.69 39.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.413 ' HB3' ' NE2' ' A' ' 35' ' ' GLN . 1.6 tmt? -73.94 154.05 39.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.595 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 79.8 m-85 -77.13 109.06 10.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.413 ' NE2' ' HB3' ' A' ' 33' ' ' MET . 20.8 mp0 -107.71 143.9 28.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.619 0.723 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 144.95 55.75 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.68 2.254 . . . . 0.0 112.345 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.469 ' CB ' ' HA ' ' A' ' 42' ' ' CYS . 71.7 m-20 -154.1 136.42 14.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 39' ' ' ASN . 10.2 t -107.04 -52.54 2.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.441 ' N ' HG22 ' A' ' 38' ' ' THR . 19.0 t-20 -109.42 -55.9 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.5 p -75.24 106.24 6.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 42' ' ' CYS . 17.2 mp0 55.22 39.57 31.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.469 ' HA ' ' CB ' ' A' ' 37' ' ' ASP . 22.9 t -34.42 136.09 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.6 m -162.66 178.7 8.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.6 m -90.02 146.26 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.65 151.89 28.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.0 p -49.2 -19.28 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -77.83 -48.69 15.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -62.88 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.595 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 41.0 mt -47.08 -57.43 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -52.09 -56.64 13.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -38.86 -39.02 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' PHE . 66.9 m -71.11 -64.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.434 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 5.2 t80 -38.22 -32.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -58.16 -65.13 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.9 t -64.71 -38.57 91.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.455 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 25.5 p-10 -125.57 82.19 63.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -15.31 36.91 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.279 . . . . 0.0 112.315 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.5 p -127.99 41.6 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.5 -142.27 5.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.505 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.5 p -159.88 142.26 13.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.351 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.403 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 15.7 tt -107.56 106.94 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.2 p -86.06 126.4 34.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.474 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 23.4 p90 -150.01 157.35 43.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.1 p -125.99 125.54 42.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.178 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.0 t -152.42 169.18 23.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.417 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 3.7 t 47.49 52.85 11.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.422 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 6.7 ptpp? 41.89 37.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.467 ' CD1' ' OG1' ' A' ' 83' ' ' THR . 47.9 m-85 -159.0 150.68 20.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.5 m -93.52 142.97 26.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.539 ' CE1' ' OD1' ' A' ' 81' ' ' ASN . 57.5 m-85 -140.06 146.16 38.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.444 ' NZ ' ' OD1' ' A' ' 73' ' ' ASP . 29.2 tttm -132.9 139.35 47.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.51 HG22 ' CE1' ' A' ' 74' ' ' PHE . 74.9 mt -124.43 107.51 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.444 ' OD1' ' NZ ' ' A' ' 71' ' ' LYS . 7.1 m-20 -94.17 99.62 11.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.51 ' CE1' HG22 ' A' ' 72' ' ' ILE . 24.8 m-85 -60.45 -45.83 92.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.11 -40.15 60.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.96 -11.95 59.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.2 mmt 62.43 39.03 12.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -162.33 163.49 27.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -98.68 130.86 45.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 43.1 ttm -102.05 116.16 32.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.539 ' OD1' ' CE1' ' A' ' 70' ' ' TYR . 10.8 t-20 -90.98 149.77 21.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.588 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -122.33 -26.58 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.467 ' OG1' ' CD1' ' A' ' 68' ' ' PHE . 7.1 t -68.87 -52.83 25.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.442 ' HG1' ' ND2' ' A' ' 81' ' ' ASN . 71.9 p -110.75 -20.41 12.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.61 31.11 51.34 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.442 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -87.98 131.24 34.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -90.46 135.38 33.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -147.24 121.97 9.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.427 ' N ' HD21 ' A' ' 89' ' ' LEU . 4.2 mm? -76.1 144.78 40.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.3 pt -111.87 -176.75 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.1 pttm -171.62 144.5 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 38.6 ttp85 -111.0 126.21 54.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -156.81 151.97 21.52 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.563 0.697 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 152.48 69.38 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.657 2.238 . . . . 0.0 112.377 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.543 ' CE1' ' HA3' ' A' ' 21' ' ' GLY . 29.3 m-85 -65.37 -53.0 49.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.2 p -125.44 151.35 46.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.2 t -126.85 143.26 51.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.13 146.08 18.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 101' ' ' SER . 54.2 Cg_endo -69.66 -17.32 38.09 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.67 2.246 . . . . 0.0 112.395 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.6 m -44.57 93.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' PRO . 10.0 t -55.06 115.1 2.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.461 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m -121.75 -59.28 1.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 0.0 110.883 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.8 t -55.36 126.19 23.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.9 154.61 31.8 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 t -92.97 91.16 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.358 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.6 p -128.15 97.87 4.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.03 -169.31 0.82 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' A' ' 8' ' ' ASN . 4.3 p30 -75.39 155.16 36.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.55 40.05 3.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.0 t -133.52 124.51 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.27 134.36 34.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -120.71 78.56 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.413 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 23.1 mtm -101.65 -44.36 5.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 13' ' ' MET . 16.9 m-20 -174.0 176.09 2.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' ASP . 30.5 p 37.58 41.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t -105.2 78.87 1.43 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -43.13 102.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.8 m -149.06 140.69 23.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -89.33 134.89 33.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -112.03 121.99 46.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.464 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -114.7 156.4 15.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.478 ' CE2' HG22 ' A' ' 49' ' ' ILE . 9.3 m95 -108.42 134.5 51.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.823 0.344 . . . . 0.0 110.922 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.4 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 81.3 m-85 -130.9 136.91 49.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -121.52 139.28 53.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.986 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.87 143.32 57.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.22 168.31 9.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -64.06 -38.82 92.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 74.3 m -57.4 -29.01 63.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.57 -36.2 2.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -81.98 156.13 24.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.778 0.323 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -91.65 143.41 26.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -114.4 148.35 37.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.591 ' CE ' ' CE1' ' A' ' 95' ' ' PHE . 3.4 ttt -74.7 130.0 38.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -45.06 122.17 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -144.33 149.85 46.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.562 0.696 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' ASP . 53.6 Cg_endo -69.71 113.6 3.42 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.368 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' PRO . 3.5 t70 -35.51 -57.1 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.71 117.28 27.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.172 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -50.94 -47.63 61.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.9 m -58.16 111.54 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 42.48 53.95 4.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.0 p -53.85 -177.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -106.42 -68.2 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.48 HG21 ' CD2' ' A' ' 63' ' ' PHE . 10.6 m -131.6 153.94 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' GLU . 29.4 m -137.17 168.36 19.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.2 p -41.05 -24.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' SER . 14.5 tt0 -82.12 -53.38 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -47.61 -51.57 20.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 52' ' ' SER . 5.3 mp -57.51 -69.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' A' ' 51' ' ' LYS . 9.3 tm-20 -35.85 -48.11 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.461 ' N ' ' OE1' ' A' ' 50' ' ' GLU . 24.0 tttp -62.99 -42.35 99.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 49' ' ' ILE . 17.2 t -65.78 -50.67 63.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.404 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 44.4 t80 -52.26 -40.43 61.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -56.63 -49.61 74.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.8 m -58.91 -53.13 61.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -130.74 90.71 39.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.711 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -0.63 7.2 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.35 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 96.6 m -131.49 29.78 4.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -115.46 -149.63 9.58 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.537 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.6 p -154.53 141.16 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.84 0.352 . . . . 0.0 110.85 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.466 ' CG2' ' HB ' ' A' ' 72' ' ' ILE . 12.9 tt -114.9 111.2 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.6 p -92.54 128.26 38.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 10.1 p90 -151.27 133.19 15.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 48.7 p -118.58 123.61 45.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 71.4 p -92.52 158.95 15.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.6 t -53.87 -15.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -90.33 -55.62 3.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.537 ' CD1' ' OG1' ' A' ' 83' ' ' THR . 59.4 m-85 -158.99 176.85 11.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 0.7 OUTLIER -95.38 152.01 18.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.797 -179.753 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.565 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 38.5 m-85 -153.64 140.7 19.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.941 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' MET . 28.0 tttm -130.16 124.02 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.466 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 53.7 mt -108.98 104.56 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.414 ' OD1' ' CG ' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -88.69 98.72 11.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.404 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 19.3 m-85 -53.26 -44.91 68.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.07 -45.28 91.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -80.3 -6.62 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.1 mmt 48.92 51.64 15.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.414 ' CG ' ' OD1' ' A' ' 73' ' ' ASP . 8.0 ptpp? -161.51 163.24 30.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.433 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 42.8 tt0 -106.83 103.57 13.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 71' ' ' LYS . 28.7 tpp -79.4 122.49 26.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 82' ' ' LEU . 39.6 t-20 -86.26 143.99 27.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.554 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.8 OUTLIER -112.86 -42.18 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.537 ' OG1' ' CD1' ' A' ' 68' ' ' PHE . 2.6 t -55.76 -44.67 77.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.198 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.7 p -111.17 -18.72 12.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.9 17.13 77.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.42 ' N ' ' HB3' ' A' ' 81' ' ' ASN . 27.0 mmmt -81.55 171.06 15.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.08 141.84 50.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.433 ' CG ' ' HB3' ' A' ' 79' ' ' GLN . 11.7 ptp180 -143.78 162.87 34.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -99.34 152.87 19.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.411 HD11 ' C ' ' A' ' 78' ' ' LYS . 1.4 pt -127.76 175.39 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -161.45 146.12 13.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 52.3 ttp85 -116.79 110.92 19.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -144.2 154.91 58.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.568 0.699 . . . . 0.0 111.066 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 146.03 58.79 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.591 ' CE1' ' CE ' ' A' ' 33' ' ' MET . 19.5 m-85 -53.9 -49.75 67.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 64.2 m -68.25 134.82 51.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.6 p -100.55 43.25 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 172.27 -157.95 28.06 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 179.73 3.47 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.5 p -98.19 128.49 44.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 m -160.27 121.76 3.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 m -66.03 86.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.915 0.388 . . . . 0.0 110.882 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -38.78 -43.35 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.837 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.29 -168.28 30.87 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t 59.22 42.23 18.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.882 0.372 . . . . 0.0 110.881 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -67.22 144.02 56.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.95 63.95 4.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -152.0 129.7 11.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -155.8 146.83 22.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 m -109.86 81.88 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.89 86.23 2.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.18 153.99 34.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.3 mmt -70.37 -42.3 71.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.09 94.17 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.5 m -115.37 122.4 45.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' ASP . 59.7 p -126.95 178.86 5.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' SER . 1.5 p-10 -34.9 113.72 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.462 ' O ' ' CD1' ' A' ' 20' ' ' TRP . 3.2 t -151.89 177.5 10.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 50.2 mt-30 -74.22 119.34 18.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.462 ' CD1' ' O ' ' A' ' 18' ' ' THR . 86.8 m95 -118.04 125.88 51.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -128.11 156.26 20.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.468 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 11.1 m95 -96.72 144.92 26.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.779 0.323 . . . . 0.0 110.916 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 37.0 m-85 -132.97 158.82 41.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.827 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 32' ' ' HIS . 27.2 p90 -145.94 123.77 11.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.6 tp -51.82 158.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -134.96 158.13 45.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.072 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -55.03 -39.33 69.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 p -56.55 -32.15 64.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.47 -40.39 1.93 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.495 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -82.28 139.7 34.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.739 0.304 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -72.83 151.66 41.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 42.7 m-70 -119.61 124.5 46.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.545 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 6.7 ttt -73.95 122.98 23.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.548 ' CD2' HD11 ' A' ' 49' ' ' ILE . 42.2 m-85 -42.83 119.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -139.63 147.7 52.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.576 0.703 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 129.91 18.44 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.229 . . . . 0.0 112.362 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -99.58 159.07 15.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 42' ' ' CYS . 13.0 m -45.97 157.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -50.78 -50.05 56.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.0 m -40.89 -51.06 3.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -123.65 40.08 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 38' ' ' THR . 15.7 p -38.79 154.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 89.4 p -144.66 179.46 7.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.5 m -93.1 123.85 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.181 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.7 m -84.12 162.0 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.6 p -45.71 -32.31 2.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -64.4 -50.35 67.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -53.39 -48.85 68.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.548 HD11 ' CD2' ' A' ' 34' ' ' PHE . 5.4 mp -66.43 -65.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -40.65 -39.48 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -63.12 -43.37 98.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.9 m -71.4 -48.43 49.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -43.17 -37.49 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -60.45 -62.26 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.6 m -47.94 -60.36 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.417 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 39.0 p-10 -125.26 86.58 56.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.727 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -15.25 36.9 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 36.3 t -118.07 35.2 4.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.58 -131.82 3.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.4 p -163.13 167.07 22.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.429 ' CG2' ' HB ' ' A' ' 72' ' ' ILE . 11.0 tt -128.38 118.9 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 96.5 p -102.02 140.26 36.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -165.89 177.43 7.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.2 p -141.64 150.33 41.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.185 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 49.4 p -130.26 -67.8 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 68' ' ' PHE . 75.1 m -117.13 96.25 5.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.484 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 0.3 OUTLIER 32.64 35.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.507 ' N ' ' O ' ' A' ' 66' ' ' SER . 21.2 m-85 -145.6 168.91 19.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.7 m -127.38 154.17 45.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -145.98 127.44 15.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -113.83 100.35 8.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.429 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 86.0 mt -89.36 106.75 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.136 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -85.8 133.76 33.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -91.13 -46.29 8.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.43 -39.51 76.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -83.47 -8.77 59.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.8 mmt 54.15 47.22 23.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -160.5 158.73 29.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -98.71 117.42 33.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 38.5 tpp -89.63 112.24 23.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -83.68 143.24 30.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.463 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 1.6 mm? -115.15 -41.84 3.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.501 ' OG1' ' CD1' ' A' ' 68' ' ' PHE . 2.8 t -59.99 -44.36 94.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.4 p -107.43 -25.68 11.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.62 6.76 85.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.457 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -75.38 171.08 14.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -126.44 151.65 47.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 33.0 mtm180 -144.37 170.95 15.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.451 ' N ' HD22 ' A' ' 89' ' ' LEU . 4.2 mm? -108.6 158.64 17.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 30.0 pt -143.09 145.75 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -148.35 154.66 40.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 20.1 ttp85 -115.88 101.29 8.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -128.06 154.51 78.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 152.15 69.19 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.641 2.228 . . . . 0.0 112.364 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 19' ' ' GLN . 20.5 p90 -119.56 119.76 34.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 47.2 p -174.02 148.1 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.836 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.3 t -44.39 -53.35 6.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 151.02 -157.61 27.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.544 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 145.54 57.28 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.363 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 101' ' ' SER . 7.4 m -61.2 120.34 10.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 100' ' ' SER . 86.4 p 35.14 42.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 m -120.96 102.14 8.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.878 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.8 p -155.75 144.85 20.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.837 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.63 152.85 8.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -147.94 152.43 37.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 t -169.18 148.68 4.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.26 -178.9 45.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -147.91 159.25 44.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -104.0 20.46 18.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.4 m -125.64 131.86 71.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.177 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -119.15 102.69 8.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -125.8 127.87 46.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -111.49 133.95 53.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -105.06 153.41 21.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.1 m -96.57 -50.55 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.9 m -85.05 147.82 26.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 57.15 48.21 15.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.6 m -129.15 119.01 23.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -92.32 139.58 30.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -109.65 119.78 40.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.75 163.11 14.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.505 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 10.9 m95 -112.93 153.81 27.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.798 0.332 . . . . 0.0 110.921 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 22' ' ' TRP . 15.9 m-85 -145.49 156.46 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -137.76 142.54 40.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.418 ' HB2' ' CZ2' ' A' ' 31' ' ' TRP . 39.3 tp -72.07 136.08 46.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.71 158.99 16.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -57.27 -35.49 69.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -59.65 -30.11 68.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.29 -40.56 1.96 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.499 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -79.85 144.17 33.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.32 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.418 ' CZ2' ' HB2' ' A' ' 25' ' ' LEU . 25.5 m95 -84.05 138.7 32.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -119.12 123.23 43.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.4 ttt -52.75 154.53 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.811 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.505 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 20.2 m-85 -70.08 135.43 49.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -146.74 146.55 26.95 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.57 0.7 . . . . 0.0 110.931 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 127.2 14.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -80.17 173.28 12.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.851 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 42' ' ' CYS . 36.1 p -44.4 161.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -52.27 -45.66 65.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.0 p -57.71 -70.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 42' ' ' CYS . 51.1 mt-30 -84.1 23.73 1.02 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 38' ' ' THR . 42.2 t -36.87 117.67 0.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.7 m -102.88 -176.24 3.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.46 HG21 ' CD1' ' A' ' 49' ' ' ILE . 26.7 m -86.06 134.43 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.098 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.458 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 15.0 m -90.26 158.87 16.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.1 p -38.79 -43.82 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -54.97 -57.46 11.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -51.36 -51.91 50.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.46 ' CD1' HG21 ' A' ' 44' ' ' VAL . 5.0 mp -55.7 -62.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.486 ' OE2' ' CG ' ' A' ' 54' ' ' LYS . 13.9 tm-20 -48.81 -55.85 10.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -42.93 -41.96 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.2 m -72.35 -59.68 2.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -42.29 -28.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.486 ' CG ' ' OE2' ' A' ' 50' ' ' GLU . 35.3 mtmt -64.26 -62.93 1.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.5 t -62.35 -44.46 96.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 23.3 p-10 -119.52 81.43 23.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -16.85 37.89 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.724 2.283 . . . . 0.0 112.339 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 68.4 m -125.53 36.75 4.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.99 -140.39 5.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.2 p -162.3 141.07 9.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.833 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.447 ' CG2' ' HB ' ' A' ' 72' ' ' ILE . 11.5 tt -102.63 102.65 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 83.2 p -87.0 123.49 32.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 13.3 p90 -146.99 138.02 23.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.6 p -117.69 118.63 32.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.175 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.8 p -86.0 -174.8 5.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.187 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 68' ' ' PHE . 2.7 t -45.03 116.72 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' SER . 11.5 ptpt 38.0 28.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 66' ' ' SER . 4.7 m-85 -136.44 164.63 27.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.1 m -136.18 145.07 45.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.552 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 89.7 m-85 -154.28 133.54 12.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.5 tttp -127.98 108.8 10.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.447 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 92.0 mt -98.72 98.57 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -84.74 128.19 34.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -84.4 -46.42 11.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.33 -44.87 54.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -82.8 -2.69 55.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.6 mmt 47.27 47.46 16.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -153.75 161.5 42.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.461 ' NE2' ' OD1' ' A' ' 81' ' ' ASN . 15.6 tt0 -100.18 116.44 32.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.469 ' HA ' ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -92.37 106.52 18.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.461 ' OD1' ' NE2' ' A' ' 79' ' ' GLN . 2.5 m120 -87.95 132.43 34.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.583 ' N ' ' CD2' ' A' ' 82' ' ' LEU . 0.7 OUTLIER -109.17 -39.9 5.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.432 HG23 ' CG2' ' A' ' 84' ' ' THR . 5.5 t -44.94 -44.34 9.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.156 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.432 ' CG2' HG23 ' A' ' 83' ' ' THR . 6.8 p -112.96 -25.25 9.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.89 30.67 20.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -96.11 174.0 7.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.694 0.283 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -123.68 127.47 48.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -128.5 177.39 7.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.2 mt -119.59 166.4 13.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.7 pt -144.99 174.57 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -171.46 155.13 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.1 ttp85 -117.83 128.33 54.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -161.34 156.35 20.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 0.0 111.069 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 161.69 44.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.258 . . . . 0.0 112.357 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -66.28 -70.75 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.7 t -105.75 128.16 53.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.9 m -123.13 100.41 6.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 158.01 -179.29 33.83 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -174.46 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.361 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.1 m -110.2 163.66 13.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.2 m -91.12 -52.07 5.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.53 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -91.63 131.97 36.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.819 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -132.92 177.32 7.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.05 -74.29 0.16 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.459 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 6' ' ' SER . 1.2 t -151.8 174.74 13.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 5' ' ' SER . 2.0 m -36.61 119.61 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.73 -142.77 45.58 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -120.89 -51.94 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 57.1 44.41 22.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.0 t -59.65 -35.89 62.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.23 43.91 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -130.72 36.35 3.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 31.5 ttm -162.19 152.43 16.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -107.63 123.41 48.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.5 p -154.04 155.57 35.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.9 p -78.24 -51.3 10.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -57.52 105.47 0.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.9 m -156.24 132.29 9.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.161 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -103.47 130.37 50.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -98.49 125.03 43.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.54 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -107.28 158.23 15.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.508 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.511 ' CZ2' ' HD3' ' A' ' 92' ' ' ARG . 12.5 m95 -110.32 160.75 16.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 22' ' ' TRP . 47.1 m-85 -156.09 159.15 38.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.446 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 14.5 p90 -144.94 124.84 13.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.9 tp -48.27 140.66 7.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -109.75 175.74 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -75.81 -17.62 59.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.3 m -78.23 0.56 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.9 -44.69 1.78 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -82.26 172.15 13.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.79 0.329 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -97.39 149.58 21.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -125.78 127.69 46.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.3 ttt -56.02 140.66 42.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.428 ' CD2' ' HB3' ' A' ' 22' ' ' TRP . 16.6 m-85 -58.79 136.79 57.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -151.6 155.76 34.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.6 0.714 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 123.48 10.15 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.691 2.261 . . . . 0.0 112.322 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -47.66 -70.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.409 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 33.0 p -154.22 177.37 11.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -53.56 -54.19 40.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 41' ' ' GLN . 5.9 t -63.95 129.28 39.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' SER . 10.2 mm-40 36.62 40.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 38' ' ' THR . 13.8 p -40.25 139.8 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.425 ' OG ' ' CE1' ' A' ' 63' ' ' PHE . 1.3 t -68.48 -179.53 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.465 HG23 ' CD2' ' A' ' 63' ' ' PHE . 16.7 m -83.79 126.97 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 46' ' ' SER . 14.1 m -81.98 157.22 24.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 45' ' ' SER . 31.1 p -35.23 -38.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -60.39 -57.52 12.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.61 -65.59 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.1 mp -42.79 -56.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -54.41 -44.32 72.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -57.34 -30.28 64.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.0 t -76.15 -63.84 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 57' ' ' PRO . 7.4 t80 -45.83 -25.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -53.25 -51.14 63.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.411 ' CG2' ' N ' ' A' ' 56' ' ' ASN . 1.4 t -85.78 -39.04 17.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.436 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 22.9 p-10 -122.38 81.46 46.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.602 0.715 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.564 ' HB3' ' CE1' ' A' ' 53' ' ' PHE . 54.1 Cg_endo -69.71 -21.05 34.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.236 . . . . 0.0 112.364 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.0 t -119.13 34.43 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -116.72 -133.29 5.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.5 p -164.4 147.55 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.868 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.47 ' CG2' ' HB ' ' A' ' 72' ' ' ILE . 17.1 tt -114.82 115.34 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.6 p -100.09 115.22 29.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 39.0 p90 -132.36 160.66 35.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.0 p -129.16 155.92 44.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 66' ' ' SER . 36.5 p -141.58 -175.01 4.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.096 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.484 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 58.0 m -33.39 99.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.574 ' HE2' ' CZ ' ' A' ' 68' ' ' PHE . 2.1 pttm 37.11 48.73 0.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.574 ' CZ ' ' HE2' ' A' ' 67' ' ' LYS . 18.2 m-85 -149.19 163.72 36.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.8 m -136.27 146.22 46.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.57 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 98.1 m-85 -152.25 137.55 17.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.3 tttt -129.79 106.44 8.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.47 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 91.1 mt -93.78 97.41 7.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -80.83 112.94 18.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -70.43 -48.96 53.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.14 -35.67 36.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -95.09 -3.37 48.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.4 mmt 46.84 53.23 10.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -158.29 148.74 20.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.449 ' NE2' HH21 ' A' ' 88' ' ' ARG . 43.9 tt0 -95.12 103.61 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 49.1 tpp -78.14 113.25 15.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.536 ' OD1' ' CE1' ' A' ' 70' ' ' TYR . 21.6 t30 -85.96 140.51 30.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.584 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.6 OUTLIER -114.57 -48.4 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.4 t -39.82 -43.02 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.2 p -116.57 -24.2 7.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.78 20.05 41.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -87.72 170.17 11.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 -122.74 154.32 38.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.449 HH21 ' NE2' ' A' ' 79' ' ' GLN . 36.1 mtm180 -155.07 161.12 41.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -101.49 155.64 17.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 16.4 pt -131.42 158.63 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.453 ' CG ' ' HB2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -148.89 152.84 37.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.511 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 18.0 ttp85 -121.09 106.53 11.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -133.31 152.66 79.78 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.614 0.721 . . . . 0.0 111.089 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 145.94 58.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.54 ' CE1' ' HA3' ' A' ' 21' ' ' GLY . 28.1 m-85 -62.92 127.65 32.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.3 t -83.22 84.84 7.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 90.7 p -112.93 170.79 7.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -62.2 165.16 22.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -11.35 30.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.4 t -146.54 170.28 17.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.7 t -108.81 -48.03 3.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.812 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.529 -179.963 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 m -160.03 112.48 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.5 p -104.0 42.18 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.65 70.81 0.17 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -140.59 119.03 12.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 110.843 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.1 p -131.64 140.08 49.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.33 -135.33 2.3 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -111.89 152.87 27.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -61.81 145.95 51.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.3 m -58.86 139.13 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -106.83 170.32 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -85.3 89.18 7.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.6 mmt -128.28 -177.49 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -57.41 115.54 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 51.1 p -100.69 125.06 47.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 t -93.07 174.06 7.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -40.11 101.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.1 m -112.45 125.04 53.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.405 ' CD ' ' HB2' ' A' ' 95' ' ' PHE . 28.6 pt20 -76.03 132.6 40.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -107.72 120.02 41.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -109.14 171.61 15.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.563 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 8.8 m95 -123.31 152.14 41.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.839 0.352 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 22' ' ' TRP . 15.8 m-85 -141.62 154.21 45.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.464 ' CD2' ' O ' ' A' ' 32' ' ' HIS . 45.1 p90 -137.11 124.55 22.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.7 tp -50.16 154.37 1.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . -118.61 146.66 44.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -50.37 -34.53 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 73.6 m -67.34 -26.34 66.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.38 -40.73 1.81 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -78.97 133.75 36.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.736 0.303 . . . . 0.0 110.936 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 22.2 m95 -74.35 149.02 40.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.464 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 72.4 m-70 -128.24 127.3 42.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.507 ' HE1' ' CZ ' ' A' ' 95' ' ' PHE . 7.2 ttp -62.32 142.91 57.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 60.1 m-85 -55.68 165.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -171.98 145.56 1.63 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.608 0.718 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 142.0 46.9 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.718 2.279 . . . . 0.0 112.377 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 38' ' ' THR . 1.6 t70 -85.33 -176.15 6.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 37' ' ' ASP . 13.1 m -36.62 154.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.189 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -50.84 -44.69 59.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' GLN . 94.1 p -54.92 109.77 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 40' ' ' SER . 21.4 pt20 35.03 51.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.5 p -45.2 168.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.2 p -85.31 -176.59 6.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.46 HG23 ' CG1' ' A' ' 49' ' ' ILE . 28.5 m -80.84 125.47 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.2 m -81.19 166.85 20.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.83 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 p -43.44 -35.18 1.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -68.68 -61.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.57 -42.15 7.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.46 ' CG1' HG23 ' A' ' 44' ' ' VAL . 19.0 mt -66.09 -63.7 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.425 ' HB2' ' CD1' ' A' ' 22' ' ' TRP . 13.0 tm-20 -40.36 -42.28 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -63.52 -52.0 63.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.1 t -55.11 -38.01 67.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -63.94 -40.13 95.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -52.2 -64.15 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.3 t -62.92 -47.38 83.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -117.82 84.52 20.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.673 0.749 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -9.07 25.2 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.667 2.244 . . . . 0.0 112.337 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.5 p -122.67 -22.38 5.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.75 174.41 39.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.435 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.52 153.17 44.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 110.856 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.484 ' CG2' ' O ' ' A' ' 61' ' ' ILE . 17.2 tt -106.67 106.59 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.8 p -90.3 116.75 28.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 52.6 p90 -133.38 172.48 12.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.1 p -145.56 137.81 25.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.2 t -175.34 133.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.49 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 1.3 t 74.99 55.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.485 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 8.2 ptmt 34.62 34.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.49 ' CD2' ' O ' ' A' ' 66' ' ' SER . 31.7 m-85 -151.09 119.15 6.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.4 m -80.36 157.54 26.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.548 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 60.9 m-85 -153.82 136.71 15.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 80' ' ' MET . 31.2 tttt -126.89 126.39 43.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.4 mt -112.45 111.07 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -90.81 134.47 34.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -89.66 -47.1 8.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.62 -56.99 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -71.69 -4.33 26.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.422 ' C ' HG12 ' A' ' 90' ' ' ILE . 3.5 mmt 50.65 48.61 22.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -155.93 161.59 40.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -99.99 121.59 41.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.469 ' N ' ' O ' ' A' ' 71' ' ' LYS . 40.0 tpp -94.24 116.47 28.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -87.63 145.22 26.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.592 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.6 OUTLIER -115.22 -37.71 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.432 ' OG1' ' CD1' ' A' ' 68' ' ' PHE . 5.1 t -61.1 -50.0 75.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.0 p -108.62 -25.87 10.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.33 22.34 54.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -76.98 173.83 11.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.748 0.309 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -135.99 140.56 44.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -154.26 133.86 12.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.9 mp -70.39 165.99 21.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.422 HG12 ' C ' ' A' ' 77' ' ' MET . 20.1 pt -137.75 166.08 25.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.3 pttt -159.38 148.49 18.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.919 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.8 ttp85 -110.77 114.83 28.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -146.43 154.24 48.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.529 0.68 . . . . 0.0 111.102 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 145.02 55.99 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.345 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.507 ' CZ ' ' HE1' ' A' ' 33' ' ' MET . 24.3 m-85 -43.13 -47.17 6.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.8 t -70.05 131.61 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 m -60.6 -43.52 97.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -131.34 -154.61 7.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -13.12 34.15 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.8 t -145.35 169.51 18.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.0 t -95.95 -53.27 3.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 m -43.6 -56.87 3.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.6 p 45.58 41.92 7.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.91 111.77 4.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -98.26 96.86 8.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 p -108.73 168.62 9.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.69 50.39 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -134.83 112.15 10.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -66.02 134.43 52.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.4 m -116.32 121.43 67.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -165.47 137.48 4.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -162.58 175.71 11.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 58.7 tpp -116.41 -42.5 3.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -145.79 134.64 22.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.9 p -130.15 146.02 51.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.6 m -64.76 -54.14 36.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -71.6 104.93 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.7 m -141.14 108.57 5.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.107 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -86.26 130.44 34.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -93.03 120.86 33.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -108.06 168.54 13.86 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -120.77 129.36 53.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.755 0.312 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -123.46 147.47 47.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 32' ' ' HIS . 33.9 p90 -128.82 131.07 47.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.566 HD12 ' CZ2' ' A' ' 31' ' ' TRP . 10.2 tt -72.52 123.63 23.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.1 156.84 29.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.071 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -53.63 -35.67 61.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 m -65.74 -33.48 75.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.14 33.38 1.25 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -131.98 123.21 26.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.771 0.319 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.566 ' CZ2' HD12 ' A' ' 25' ' ' LEU . 59.2 m95 -77.74 110.13 12.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.403 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 88.6 m-70 -108.11 128.94 55.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.841 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.441 ' HE3' ' CZ ' ' A' ' 95' ' ' PHE . 4.0 ttt -57.66 154.3 11.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.57 ' CE1' HD13 ' A' ' 49' ' ' ILE . 16.8 m-85 -75.29 120.55 20.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -131.32 146.88 63.91 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.557 0.694 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 116.51 4.59 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.733 2.289 . . . . 0.0 112.334 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -76.02 159.69 30.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.9 t -46.93 165.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -51.55 -49.91 61.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.7 t -40.31 -61.56 0.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -110.11 37.8 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.3 p -37.89 116.64 0.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.3 p -106.34 178.9 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 m -87.4 136.78 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.13 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.3 m -84.52 160.07 20.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.7 p -44.01 -28.42 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 48' ' ' ASP . 31.9 tt0 -63.64 -70.36 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' GLU . 6.4 t0 -36.82 -57.94 0.78 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.57 HD13 ' CE1' ' A' ' 34' ' ' PHE . 20.1 mt -50.78 -62.4 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -45.91 -43.65 13.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -59.07 -47.24 85.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.9 m -65.43 -33.27 75.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 53' ' ' PHE . 5.1 t80 -74.86 -34.94 62.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -60.53 -55.86 28.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -54.02 -35.58 62.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -151.41 105.0 2.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.647 0.737 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -18.09 37.19 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.337 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.0 p -115.69 40.35 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.55 -152.28 9.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.533 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.5 p -155.53 143.19 19.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 61' ' ' ILE . 18.3 tt -108.19 100.8 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.2 p -85.49 118.48 25.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 12.0 p90 -145.79 134.25 21.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.5 p -116.0 128.72 55.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.2 p -97.98 -175.22 3.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 68' ' ' PHE . 13.8 t -42.65 119.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER 34.04 32.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.544 ' CE2' ' OG1' ' A' ' 83' ' ' THR . 5.4 m-85 -142.81 161.79 37.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.459 ' CB ' ' HB2' ' A' ' 82' ' ' LEU . 12.0 m -135.49 147.36 48.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.563 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 92.8 m-85 -154.38 131.6 11.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -129.29 105.15 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.461 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 83.9 mt -92.34 97.32 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.6 116.4 18.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -74.51 -49.86 20.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.25 -52.81 14.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.128 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -75.62 -6.07 48.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.403 ' C ' HG12 ' A' ' 90' ' ' ILE . 5.3 mmt 52.35 52.86 13.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.7 pttt -161.26 155.69 23.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 88' ' ' ARG . 24.5 tt0 -97.9 116.32 29.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 52.4 tpp -91.2 111.83 23.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.497 ' OD1' ' CE1' ' A' ' 70' ' ' TYR . 16.4 t30 -82.51 140.33 33.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.8 OUTLIER -115.88 -41.61 3.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.544 ' OG1' ' CE2' ' A' ' 68' ' ' PHE . 1.9 t -43.62 -42.38 5.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.189 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 63.1 p -118.85 -25.37 6.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.12 14.12 46.61 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -76.1 170.35 16.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.733 0.301 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -123.6 129.96 51.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 79' ' ' GLN . 65.9 mtt180 -132.69 158.55 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -105.48 161.25 14.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.403 HG12 ' C ' ' A' ' 77' ' ' MET . 7.6 pt -133.32 173.0 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -167.1 153.85 8.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -113.09 109.29 18.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -140.61 148.81 54.73 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.56 0.695 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 156.11 64.32 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.372 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.441 ' CZ ' ' HE3' ' A' ' 33' ' ' MET . 8.0 m-85 -42.88 162.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 97' ' ' SER . 1.9 m -81.34 78.53 8.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 96' ' ' SER . 21.3 t -34.84 143.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 148.33 -176.07 27.31 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.456 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -6.56 18.9 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.624 2.216 . . . . 0.0 112.325 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 96.1 p -75.64 74.74 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 t 39.53 49.46 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.445 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -100.96 87.06 3.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 110.834 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 m -49.93 151.31 1.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.62 -106.19 2.89 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -139.26 177.14 8.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.828 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -126.24 110.52 13.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . -80.6 -85.16 0.67 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 7' ' ' GLY . 11.6 m120 -36.61 150.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -51.36 153.63 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.21 -28.65 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -165.12 177.51 7.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.17 42.87 2.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.3 ttt -119.23 129.73 55.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.58 123.12 18.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.0 p -135.32 149.53 49.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.177 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -126.32 43.35 3.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -112.76 93.86 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.811 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.5 m -96.77 101.74 13.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.186 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -86.01 124.96 33.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -93.98 115.79 28.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.35 161.36 14.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.544 ' CZ2' ' HD3' ' A' ' 92' ' ' ARG . 18.9 m95 -109.82 147.19 33.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.803 0.335 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.508 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 26.7 m-85 -132.33 148.71 52.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.519 ' HB3' ' CE2' ' A' ' 34' ' ' PHE . 22.8 p90 -129.99 127.79 40.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.0 tp -62.71 154.48 29.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.16 163.68 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.414 ' C ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -52.66 -45.85 66.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 m -60.0 -31.55 70.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.61 41.25 1.04 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -132.81 138.05 46.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.758 0.313 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -82.87 113.79 20.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -102.95 116.15 31.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.541 ' HE1' ' CE2' ' A' ' 95' ' ' PHE . 25.3 ttt -52.66 113.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.546 ' CD1' HD12 ' A' ' 49' ' ' ILE . 13.1 m-85 -34.73 127.5 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -148.13 153.26 41.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.658 0.742 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 109.46 2.32 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -60.33 162.7 5.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.8 p -38.27 155.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -51.14 -42.66 60.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 t -52.07 -57.0 10.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.1 mp0 -111.63 41.6 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 16.4 p -47.92 121.27 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.9 m -109.06 177.39 4.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.419 HG22 ' CE2' ' A' ' 63' ' ' PHE . 27.6 m -75.18 127.75 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.167 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.0 m -84.8 164.4 18.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.6 p -39.02 -43.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -42.47 -59.29 1.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -56.98 -61.85 2.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.546 HD12 ' CD1' ' A' ' 34' ' ' PHE . 4.5 mp -43.09 -40.22 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -70.19 -67.75 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -40.92 -36.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 t -69.82 -54.05 15.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.487 ' HA ' ' CE2' ' A' ' 74' ' ' PHE . 38.8 t80 -50.98 -44.23 60.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -50.13 -57.93 6.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.3 m -46.05 -46.22 16.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -147.09 105.05 3.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.634 0.731 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -13.78 35.14 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.712 2.275 . . . . 0.0 112.347 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.6 p -121.39 41.06 3.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.25 -165.23 11.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.1 p -133.19 149.11 52.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.469 ' CG2' ' HB ' ' A' ' 72' ' ' ILE . 7.8 tt -110.22 107.79 23.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.9 p -97.75 113.23 24.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 17.7 p90 -133.46 151.65 51.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.7 p -123.53 126.16 46.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 66' ' ' SER . 2.1 p -87.19 -175.69 5.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.193 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 65' ' ' THR . 5.1 p -34.09 -71.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.475 ' HG3' ' CE2' ' A' ' 68' ' ' PHE . 12.9 ptpt -131.62 47.11 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.475 ' CE2' ' HG3' ' A' ' 67' ' ' LYS . 81.6 m-85 -159.01 161.74 36.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.5 m -128.19 153.0 47.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.563 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 97.1 m-85 -154.08 136.88 15.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.4 ttmt -122.88 107.36 11.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.469 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 75.8 mt -102.94 103.01 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.08 131.67 34.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.487 ' CE2' ' HA ' ' A' ' 53' ' ' PHE . 30.5 m-85 -84.28 -47.17 11.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.22 -44.55 68.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -77.58 -9.65 59.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.6 mmt 53.32 46.35 26.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -162.04 150.15 14.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.434 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 31.4 tt0 -95.2 119.94 34.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 45.2 ttm -91.95 112.46 24.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.472 ' HB3' ' N ' ' A' ' 86' ' ' LYS . 24.3 t-20 -83.07 145.45 29.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -119.47 -44.33 2.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 t -54.18 -41.29 68.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.8 p -113.86 -24.54 9.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.89 14.18 65.36 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.493 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.472 ' N ' ' HB3' ' A' ' 81' ' ' ASN . 3.3 mmmm -73.53 173.81 9.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.727 0.299 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -142.02 137.25 30.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.434 ' CG ' ' HB3' ' A' ' 79' ' ' GLN . 14.0 ptp180 -148.92 166.75 27.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.7 mp -98.91 165.27 11.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.1 pt -139.1 144.39 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -136.27 153.11 51.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.544 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 26.1 ttp85 -119.8 112.25 19.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -148.27 163.38 26.86 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 160.94 47.83 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.62 2.213 . . . . 0.0 112.311 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.541 ' CE2' ' HE1' ' A' ' 33' ' ' MET . 17.1 m-85 -47.26 -56.76 6.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 64.03 41.25 6.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 70.2 p -156.96 166.88 32.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -92.23 136.01 13.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.538 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -7.67 21.64 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.369 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.4 t -48.31 103.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.2 m -139.19 175.45 9.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.498 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 t -127.16 85.7 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.356 . . . . 0.0 110.863 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -91.92 104.74 17.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.95 125.93 0.26 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 t -115.97 -59.75 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -157.88 164.97 36.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.828 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.21 104.14 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -95.19 -52.46 4.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.945 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 53.42 41.91 32.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.8 t -120.75 126.73 75.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.49 112.11 20.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.46 147.17 1.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.6 mmt -123.45 150.69 43.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -95.97 86.78 4.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 16' ' ' SER . 21.7 m -158.26 146.88 18.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.432 ' N ' HG23 ' A' ' 15' ' ' THR . 7.5 t -93.85 42.22 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -110.59 -17.56 13.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.0 m -55.58 102.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -90.27 121.65 32.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.421 ' HB3' ' NH1' ' A' ' 92' ' ' ARG . 90.1 m95 -88.32 124.28 33.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.07 157.11 15.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.535 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.473 ' NE1' ' HD2' ' A' ' 92' ' ' ARG . 14.4 m95 -104.88 136.38 44.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.479 ' CE2' ' SD ' ' A' ' 33' ' ' MET . 34.1 m-85 -129.58 168.12 16.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 34' ' ' PHE . 29.0 p90 -152.89 125.71 8.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.428 ' HG ' ' N ' ' A' ' 26' ' ' ALA . 40.4 tp -55.32 157.57 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.428 ' N ' ' HG ' ' A' ' 25' ' ' LEU . . . -116.47 162.41 17.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.079 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -50.1 -52.21 36.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.8 m -61.43 -31.74 71.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.89 43.13 0.69 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.453 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 13.8 tptt -135.35 117.56 15.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.938 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -69.7 121.64 17.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.48 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 39.6 m-70 -113.55 118.31 34.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.565 ' HE2' ' CZ ' ' A' ' 95' ' ' PHE . 5.1 ttt -58.19 120.02 7.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.569 ' CD1' HD13 ' A' ' 49' ' ' ILE . 84.5 m-85 -40.04 146.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -138.1 145.43 47.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 145.95 58.63 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.682 2.255 . . . . 0.0 112.311 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -160.66 127.9 4.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.09 -54.81 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -109.83 -56.1 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.2 m -72.13 100.66 2.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 42' ' ' CYS . 45.6 tt0 59.46 43.37 16.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.453 ' C ' ' O ' ' A' ' 41' ' ' GLN . 42.4 t -34.0 141.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.9 p -165.64 -175.03 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 m -102.26 141.05 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.29 149.47 26.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 76.8 p -42.13 -34.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -59.94 -45.68 91.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.06 -63.04 1.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.569 HD13 ' CD1' ' A' ' 34' ' ' PHE . 42.9 mt -45.85 -40.54 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 52' ' ' SER . 0.4 OUTLIER -73.28 -67.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -36.7 -29.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 50' ' ' GLU . 54.5 m -77.35 -67.52 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 2.1 t80 -42.53 -25.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.29 -66.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.4 t -71.21 -43.94 66.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.462 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 18.6 p-10 -113.32 77.69 3.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -13.13 34.06 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.0 m -125.91 37.1 4.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.47 -133.71 4.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.4 p -168.56 164.17 12.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.363 . . . . 0.0 110.813 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.5 tt -137.34 106.26 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.5 p -83.99 139.44 32.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -166.55 176.15 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.832 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.7 p -129.39 162.78 27.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.113 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 65.2 p -133.81 -73.27 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 11.3 m -124.31 89.08 3.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 66' ' ' SER . 0.0 OUTLIER 48.13 30.64 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.537 ' CD1' ' OG1' ' A' ' 83' ' ' THR . 21.0 m-85 -142.99 168.54 19.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 m -126.51 153.69 44.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.548 ' CE1' HG21 ' A' ' 83' ' ' THR . 82.4 m-85 -152.59 131.19 12.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -113.32 99.41 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 77.4 mt -81.02 102.3 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.32 119.93 29.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.417 ' CE1' ' CH2' ' A' ' 22' ' ' TRP . 23.2 m-85 -79.44 -43.57 23.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.78 -30.11 9.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.061 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -103.73 -6.85 21.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.414 ' C ' HG12 ' A' ' 90' ' ' ILE . 76.8 mmm 55.14 50.31 15.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -161.09 156.5 24.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -95.12 145.82 24.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.5 tpp -107.42 121.89 45.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -96.42 105.8 17.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.478 HD11 ' N ' ' A' ' 82' ' ' LEU . 2.0 mp -93.19 -12.12 31.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.548 HG21 ' CE1' ' A' ' 70' ' ' TYR . 5.5 t -81.13 -38.25 27.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 74.2 p -115.94 -25.99 7.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.37 35.67 10.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -108.53 175.72 5.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.725 0.298 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -118.72 129.25 55.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 mtm-85 -123.7 144.37 49.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.0 mt -95.9 154.39 17.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.414 HG12 ' C ' ' A' ' 77' ' ' MET . 21.3 pt -132.5 145.98 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.1 pttm -134.06 145.65 49.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.473 ' HD2' ' NE1' ' A' ' 22' ' ' TRP . 6.0 ttt85 -120.1 107.34 12.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.406 ' CB ' ' HD2' ' A' ' 94' ' ' PRO . . . -141.84 165.68 26.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.533 0.682 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.406 ' HD2' ' CB ' ' A' ' 93' ' ' ALA . 53.2 Cg_endo -69.84 150.51 67.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.642 2.228 . . . . 0.0 112.312 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.565 ' CZ ' ' HE2' ' A' ' 33' ' ' MET . 12.3 m-85 -40.85 -43.4 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.9 p -107.01 91.77 3.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.6 t -50.18 -62.78 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.26 -157.8 7.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 111.5 2.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.353 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.1 p -103.68 176.28 5.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -102.32 -46.68 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -97.41 42.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.856 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -84.64 -49.86 8.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.25 96.19 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 t -64.06 116.39 5.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -160.54 110.53 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.14 -172.57 13.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -100.51 129.74 46.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -111.84 92.1 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.9 t -97.7 -36.63 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.123 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -148.44 130.35 15.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -85.97 34.52 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.0 tpt -157.18 152.28 26.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.99 159.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.3 p -118.4 111.1 18.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 t -73.77 -59.89 2.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -80.63 98.41 7.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.3 m -135.69 115.37 12.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -88.79 118.91 28.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -86.57 119.42 26.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.556 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -102.4 174.16 23.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.492 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 24.1 m95 -123.56 144.91 49.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 110.922 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 25.1 m-85 -141.51 164.98 28.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.479 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 8.4 p90 -146.78 130.44 16.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.474 HD12 ' CZ2' ' A' ' 31' ' ' TRP . 2.9 tt -65.84 109.21 2.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.09 167.07 21.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.121 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 28' ' ' CYS . 7.7 pt-20 -64.3 -35.74 81.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 20.2 m -62.11 -30.23 70.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.72 -38.48 2.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.511 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -78.62 138.18 38.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.474 ' CZ2' HD12 ' A' ' 25' ' ' LEU . 28.2 m95 -77.6 127.85 33.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -105.32 112.72 25.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.563 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 10.1 ttt -57.38 142.05 45.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.568 ' CD2' HD12 ' A' ' 49' ' ' ILE . 65.4 m-85 -60.2 135.42 57.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -151.15 145.8 18.44 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.566 0.698 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 110.65 2.62 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -81.68 161.61 23.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 42' ' ' CYS . 57.0 p -49.18 166.27 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.66 -45.38 73.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.7 t -47.77 -56.81 6.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -115.76 41.68 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 38' ' ' THR . 19.3 p -43.67 124.25 3.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.6 m -112.91 177.17 4.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.504 HG12 ' CD2' ' A' ' 63' ' ' PHE . 34.4 m -90.68 131.62 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.157 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 46' ' ' SER . 58.8 m -91.79 154.23 19.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 45' ' ' SER . 82.0 p -34.33 -41.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -57.33 -58.51 7.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.46 -52.69 7.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.568 HD12 ' CD2' ' A' ' 34' ' ' PHE . 3.8 mp -66.42 -64.89 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -41.87 -33.16 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -61.41 -60.41 3.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.2 m -58.69 -40.98 85.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.463 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 25.1 t80 -61.34 -52.51 64.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -48.54 -60.22 2.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 56' ' ' ASN . 7.7 t -55.7 -42.94 75.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.432 ' N ' HG23 ' A' ' 55' ' ' THR . 53.8 t30 -137.47 105.04 8.44 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.627 0.727 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -20.19 34.87 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.669 2.246 . . . . 0.0 112.335 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 m -115.68 41.2 2.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.81 -167.13 13.05 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.545 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.2 p -138.18 169.42 17.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.1 tt -140.46 117.62 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.1 t -99.4 144.36 28.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.504 ' CD2' HG12 ' A' ' 44' ' ' VAL . 29.9 p90 -164.97 173.94 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.414 HG23 ' C ' ' A' ' 63' ' ' PHE . 68.8 p -142.27 153.9 44.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 p -104.42 -74.96 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.7 t -126.49 -72.57 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -128.27 28.87 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -140.53 173.83 11.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.6 m -131.5 155.67 47.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.409 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 66.7 m-85 -151.85 130.98 12.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -121.39 117.44 26.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 92.7 mt -101.62 110.73 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -92.34 128.59 38.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.463 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 18.6 m-85 -85.59 -49.36 8.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.15 -36.2 50.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.071 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -86.41 -10.23 54.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 mmt 55.23 44.12 28.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -159.53 164.79 34.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -100.06 123.64 44.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.9 tpp -91.23 116.92 29.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.568 ' ND2' ' HG1' ' A' ' 84' ' ' THR . 0.1 OUTLIER -87.04 141.91 28.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.576 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.7 OUTLIER -120.55 -49.61 2.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.402 ' CG2' HD22 ' A' ' 81' ' ' ASN . 2.9 t -52.8 -48.37 66.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.568 ' HG1' ' ND2' ' A' ' 81' ' ' ASN . 32.5 p -104.99 -25.97 12.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.63 13.67 75.14 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.456 ' N ' ' HB3' ' A' ' 81' ' ' ASN . 4.6 mptt -76.12 175.28 9.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.738 0.304 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.63 141.2 52.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -146.72 155.6 42.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.433 ' N ' HD21 ' A' ' 89' ' ' LEU . 4.5 mm? -104.39 157.39 17.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 42.1 pt -132.62 146.77 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -138.1 140.65 40.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.485 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 39.0 ttp85 -110.41 100.61 9.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -126.21 152.67 73.88 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.606 0.717 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 149.22 66.65 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.73 2.286 . . . . 0.0 112.291 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.556 ' CE1' ' HA3' ' A' ' 21' ' ' GLY . 31.8 m-85 -68.26 92.85 0.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.1 p -130.44 102.23 6.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.8 m -125.41 85.74 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.72 -169.52 50.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 175.59 7.9 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.651 2.234 . . . . 0.0 112.371 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 101' ' ' SER . 84.2 p -132.56 153.82 50.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 100' ' ' SER . 68.6 m -36.06 148.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.486 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 t -85.19 -59.35 2.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 m -73.48 115.61 13.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.24 128.29 0.36 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -95.43 -49.75 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.838 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 m -114.08 43.24 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' O ' ' CD ' ' A' ' 9' ' ' GLU . . . 73.33 127.63 0.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -45.37 123.7 4.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.413 ' CD ' ' O ' ' A' ' 7' ' ' GLY . 31.0 mp0 -110.06 11.19 23.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.5 m -119.73 134.18 64.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -50.83 156.58 0.94 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -70.89 171.96 9.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.9 mmt -85.98 93.08 8.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -122.04 41.03 3.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.6 t -138.61 157.42 46.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 t -87.78 -45.44 10.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -60.0 89.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.8 m -164.13 131.66 3.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -81.74 126.57 31.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -104.65 111.62 24.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.98 167.77 30.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.55 ' CH2' ' CD1' ' A' ' 74' ' ' PHE . 22.8 m95 -119.53 138.69 53.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.758 0.313 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.567 ' CZ ' ' HE3' ' A' ' 33' ' ' MET . 3.6 m-85 -130.06 151.92 50.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 34' ' ' PHE . 7.8 p90 -141.98 123.61 15.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.474 ' HB2' ' CE2' ' A' ' 31' ' ' TRP . 7.9 tp -51.14 134.04 27.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.75 177.31 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -76.67 -41.49 45.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 t -59.36 -30.65 68.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.74 -41.29 1.51 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -79.58 136.93 36.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.766 0.317 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.474 ' CE2' ' HB2' ' A' ' 25' ' ' LEU . 15.9 m95 -73.42 141.94 46.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.412 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 39.0 m-70 -119.54 113.45 20.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.567 ' HE3' ' CZ ' ' A' ' 23' ' ' PHE . 2.8 ttt -62.38 120.33 10.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 24' ' ' TYR . 96.0 m-85 -38.29 129.74 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.849 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -125.02 142.17 40.47 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 142.82 49.03 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.2 154.56 41.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.5 p -105.4 -70.17 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 40' ' ' SER . 15.1 m120 -108.6 -49.44 3.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' ASN . 57.6 m -35.48 -71.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 43' ' ' SER . 21.2 mt-30 -112.85 -9.28 13.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.6 p 38.77 25.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 41' ' ' GLN . 5.3 t -72.55 -173.79 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.471 HG21 ' CG1' ' A' ' 49' ' ' ILE . 3.9 m -95.64 157.35 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.24 146.15 23.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.9 p -42.12 -28.24 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -74.95 -51.45 13.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -45.79 -63.33 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.471 ' CG1' HG21 ' A' ' 44' ' ' VAL . 19.5 mt -49.37 -52.93 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.455 ' C ' ' OE1' ' A' ' 50' ' ' GLU . 2.2 tm-20 -51.94 -61.34 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -39.12 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 50' ' ' GLU . 8.0 t -77.92 -48.11 17.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.443 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 7.3 t80 -59.1 -24.69 63.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -53.75 -61.61 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -78.48 -31.63 47.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -116.41 74.95 6.23 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -23.78 30.59 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.71 2.274 . . . . 0.0 112.333 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.407 ' C ' ' HB3' ' A' ' 75' ' ' ALA . 30.8 p -127.25 36.78 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.27 -142.88 6.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 p -151.83 139.61 19.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.532 HG22 ' CZ ' ' A' ' 74' ' ' PHE . 5.7 tt -104.51 117.59 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 90.5 p -93.95 124.32 37.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.526 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 10.6 p90 -146.6 133.0 19.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.7 p -118.4 136.14 53.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.185 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 t -155.01 133.34 11.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.478 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 1.4 t 69.46 53.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 66' ' ' SER . 7.4 ptpp? 46.26 29.93 0.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.426 ' CD2' ' OG1' ' A' ' 83' ' ' THR . 2.4 m-85 -122.82 172.1 8.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.2 p -134.75 129.81 35.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.809 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.526 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 68.4 m-85 -138.66 138.97 38.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.455 ' CB ' HD22 ' A' ' 82' ' ' LEU . 25.5 ttpt -133.86 114.72 13.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 74.3 mt -96.14 115.13 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.36 114.3 25.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.55 ' CD1' ' CH2' ' A' ' 22' ' ' TRP . 20.4 m-85 -81.54 -45.61 15.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.407 ' HB3' ' C ' ' A' ' 58' ' ' CYS . . . -51.88 -42.18 62.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.061 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -88.91 1.09 55.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.7 mmt 49.29 52.15 14.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -160.76 159.48 30.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.502 ' NE2' ' OD1' ' A' ' 81' ' ' ASN . 6.7 tm0? -100.91 121.05 41.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 71' ' ' LYS . 25.1 ttm -97.87 112.98 24.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.502 ' OD1' ' NE2' ' A' ' 79' ' ' GLN . 15.3 m-20 -89.14 140.51 29.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 1.3 mm? -112.97 -23.37 10.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.426 ' OG1' ' CD2' ' A' ' 68' ' ' PHE . 9.2 t -65.8 -40.22 91.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.7 t -124.79 -20.57 4.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.54 16.27 66.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -73.16 146.46 45.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.704 0.288 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -101.13 131.54 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -134.27 178.9 6.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.9 mt -125.35 154.13 42.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 10.6 pt -132.15 175.32 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -167.44 145.31 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.512 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 1.4 tpt180 -106.08 123.71 48.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -161.61 151.28 13.84 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.559 0.695 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 150.48 68.41 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.339 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.562 ' CD2' ' HE1' ' A' ' 33' ' ' MET . 44.8 m-85 -42.08 -56.56 2.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 60.4 p -147.06 143.72 28.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.9 p -77.92 -52.4 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.82 85.61 1.54 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -1.92 9.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.357 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.8 t -119.8 109.81 16.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 81.4 p -145.21 137.75 26.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.494 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.1 m -114.91 124.0 50.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.849 0.357 . . . . 0.0 110.826 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -62.91 148.65 46.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.11 104.21 2.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 t -152.48 160.41 43.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 0.0 110.874 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -88.75 -44.59 10.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.35 157.33 2.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -40.24 157.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.352 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -116.87 41.18 2.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.1 t 42.05 49.17 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -75.83 177.7 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -48.07 171.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.9 ttt 51.06 42.73 28.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 15' ' ' THR . 27.0 t70 -132.81 173.57 11.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 14' ' ' ASP . 24.1 m -34.23 116.1 0.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.0 p -56.16 -176.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 62.76 47.26 4.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.415 ' O ' ' CD1' ' A' ' 20' ' ' TRP . 48.6 m -96.61 112.39 24.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -72.76 112.39 8.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.415 ' CD1' ' O ' ' A' ' 18' ' ' THR . 56.9 m95 -88.14 132.12 34.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.65 157.46 17.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.488 ' CE2' ' HD3' ' A' ' 92' ' ' ARG . 20.6 m95 -107.21 133.23 52.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.762 0.315 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 33' ' ' MET . 4.9 m-85 -133.33 157.85 44.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 32' ' ' HIS . 30.1 p90 -144.1 123.77 13.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.456 ' HG ' ' N ' ' A' ' 26' ' ' ALA . 61.8 tp -46.72 165.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.456 ' N ' ' HG ' ' A' ' 25' ' ' LEU . . . -129.66 177.98 6.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -66.27 -58.3 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.6 t -56.05 -32.77 64.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.15 38.27 0.75 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -130.88 121.46 25.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.774 0.321 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -69.97 116.23 10.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.453 ' CD2' ' HB1' ' A' ' 26' ' ' ALA . 65.1 m-70 -95.53 129.3 42.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.556 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 11.4 ttt -83.31 118.07 23.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.649 ' CD2' ' CD1' ' A' ' 49' ' ' ILE . 92.3 m-85 -37.84 148.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -133.8 147.59 64.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.647 0.737 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 152.75 69.27 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 38' ' ' THR . 22.8 m-20 -169.11 175.59 5.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' ASP . 16.7 m -33.42 148.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 41' ' ' GLN . 9.5 m120 -93.54 -55.89 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 39' ' ' ASN . 39.6 p -34.29 94.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 39' ' ' ASN . 5.6 tt0 36.86 54.23 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' THR . 8.2 m -130.9 -174.94 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 t -49.69 179.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.1 m -131.95 155.17 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -86.77 151.4 23.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.8 p -42.09 -40.05 2.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -63.71 -53.15 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -43.66 -67.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.649 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 24.1 mt -41.99 -55.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -51.6 -49.17 62.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -46.15 -39.63 9.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.3 m -66.61 -67.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.502 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 3.0 t80 -44.09 -38.37 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -45.89 -52.21 11.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 56' ' ' ASN . 4.9 t -83.4 -40.35 19.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.159 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 31.8 p-10 -123.32 82.4 52.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.486 ' HB3' ' CE1' ' A' ' 53' ' ' PHE . 53.7 Cg_endo -69.77 -8.78 24.47 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.666 2.244 . . . . 0.0 112.38 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.7 p -125.51 37.9 4.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.02 -158.13 9.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.487 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.1 p -145.26 170.21 16.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 17.3 tt -145.53 113.59 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.1 p -93.49 130.42 39.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -155.5 170.96 20.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 42' ' ' CYS . 60.5 p -132.4 170.05 15.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.1 p -121.29 -58.48 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.1 t -132.34 -73.29 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -124.94 -17.38 5.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -100.35 165.53 11.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.7 m -121.08 161.96 20.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -150.96 134.5 16.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -118.4 122.97 44.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 91.1 mt -105.96 99.22 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -93.21 103.45 15.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -57.68 -49.55 76.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.37 -42.5 31.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -81.31 -18.73 44.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.417 ' C ' HG12 ' A' ' 90' ' ' ILE . 7.1 mmt 61.76 43.63 9.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -162.46 157.24 22.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -97.24 113.88 25.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.472 ' HA ' ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -83.02 118.36 23.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.466 ' HB2' ' N ' ' A' ' 86' ' ' LYS . 2.4 m120 -81.11 143.38 32.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.558 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -111.3 -29.91 7.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 84' ' ' THR . 8.2 t -73.59 -53.34 10.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.415 ' N ' ' CG2' ' A' ' 83' ' ' THR . 69.7 p -104.33 -22.78 13.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 81.58 20.67 63.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.466 ' N ' ' HB2' ' A' ' 81' ' ' ASN . 16.7 mtmm -75.02 174.29 9.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.728 0.299 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -134.07 140.04 46.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 68.0 mtm-85 -147.52 128.88 14.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.46 ' N ' HD21 ' A' ' 89' ' ' LEU . 4.5 mm? -74.97 141.51 44.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.417 HG12 ' C ' ' A' ' 77' ' ' MET . 30.3 pt -109.95 176.83 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -165.85 151.98 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.488 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 5.8 ttp-105 -124.33 102.51 7.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -128.44 163.61 43.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.592 0.71 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 144.43 54.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.497 ' CE2' ' HE3' ' A' ' 33' ' ' MET . 16.5 m-85 -39.13 135.49 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -47.29 -50.05 22.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.1 t -67.44 116.66 8.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -61.24 -123.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.523 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 93.37 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.721 2.281 . . . . 0.0 112.372 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.2 p -121.61 84.18 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.6 m 43.62 40.96 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.477 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.434 -0.266 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 m -78.09 -47.5 18.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.361 . . . . 0.0 110.841 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.4 p -104.23 156.93 17.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.82 94.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.433 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -44.58 125.69 4.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.935 0.398 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -64.8 -44.77 88.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.96 -86.1 1.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -169.61 174.84 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.772 0.32 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 10' ' ' VAL . 32.0 mt-10 -85.05 78.33 9.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 9' ' ' GLU . 39.8 t 34.12 52.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -50.82 173.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 43.54 42.75 4.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -61.88 163.29 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -156.19 122.38 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.4 t -62.76 114.29 3.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.188 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.7 t -170.72 116.61 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 t0 67.62 40.37 2.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.2 m -47.67 99.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -73.06 147.01 45.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -107.28 126.02 51.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -109.64 169.23 13.58 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.47 ' NE1' ' HD2' ' A' ' 92' ' ' ARG . 26.9 m95 -119.16 132.74 56.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.76 0.314 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -133.35 143.1 48.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.455 ' HB3' ' CZ ' ' A' ' 34' ' ' PHE . 36.1 p90 -117.6 129.52 55.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.566 ' HB2' ' CH2' ' A' ' 31' ' ' TRP . 45.8 tp -56.66 145.38 28.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.74 173.57 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -76.44 -39.73 52.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.9 t -56.92 -31.91 65.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.75 -40.34 1.86 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -78.63 143.33 36.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.566 ' CH2' ' HB2' ' A' ' 25' ' ' LEU . 44.2 m95 -83.99 149.19 26.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -131.69 124.13 29.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.543 ' HE2' ' CZ ' ' A' ' 95' ' ' PHE . 7.3 ttm -56.64 160.39 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.548 ' CD2' HD11 ' A' ' 49' ' ' ILE . 45.9 m-85 -77.52 112.18 14.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 34' ' ' PHE . 2.7 mp0 -119.0 148.75 45.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 134.91 29.06 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.661 2.24 . . . . 0.0 112.316 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.444 ' CB ' ' HB ' ' A' ' 65' ' ' THR . 5.3 t70 -42.07 -65.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 42.0 m -127.0 127.65 45.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -50.65 -54.72 20.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -60.27 -44.93 94.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -124.2 84.29 2.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.8 p -109.42 173.66 6.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.6 m -123.51 -63.18 1.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.9 m -131.84 156.29 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 46' ' ' SER . 33.0 m -137.13 167.39 21.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' SER . 87.0 p -37.21 -37.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.857 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -69.65 -55.69 9.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.03 -61.23 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.548 HD11 ' CD2' ' A' ' 34' ' ' PHE . 19.3 mt -48.77 -49.94 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -52.53 -52.11 56.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -49.29 -43.06 42.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.0 t -63.01 -41.34 99.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.44 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 35.7 t80 -61.59 -41.47 97.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -52.62 -63.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.3 t -68.94 -30.43 68.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -126.81 81.43 69.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -30.23 22.75 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.717 2.278 . . . . 0.0 112.366 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.414 ' C ' ' HB1' ' A' ' 75' ' ' ALA . 79.4 m -122.95 45.16 2.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.99 -135.84 5.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.9 p -168.1 145.85 4.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.349 . . . . 0.0 110.826 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.5 tt -119.81 118.08 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.0 p -103.01 97.65 7.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -119.28 162.04 19.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 78.3 p -141.82 133.38 26.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 67' ' ' LYS . 77.1 p -104.38 52.01 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 t 39.94 25.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.601 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 23.1 ttpt -134.63 -51.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 67' ' ' LYS . 39.9 m-85 -158.56 137.56 11.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.1 m -77.59 132.39 38.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -129.9 143.11 50.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -129.27 101.74 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.528 HD12 ' CE2' ' A' ' 34' ' ' PHE . 65.1 mt -92.32 113.41 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -97.07 100.5 11.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.44 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 24.7 m-85 -56.36 -43.32 79.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.414 ' HB1' ' C ' ' A' ' 58' ' ' CYS . . . -54.11 -45.18 71.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.078 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -78.96 -13.44 59.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.424 ' C ' HG12 ' A' ' 90' ' ' ILE . 1.4 mmt 61.66 41.77 11.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.48 163.63 27.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -95.46 159.06 15.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 60.2 ttm -135.75 110.52 8.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -83.37 142.36 31.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.453 ' N ' HD22 ' A' ' 82' ' ' LEU . 2.1 mm? -108.45 -21.39 12.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.95 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 84' ' ' THR . 6.3 t -76.8 -45.32 29.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.423 ' N ' HG23 ' A' ' 83' ' ' THR . 70.8 p -110.39 -26.01 9.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.26 28.45 27.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -95.23 148.63 22.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.705 0.288 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -119.51 117.52 28.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -118.02 122.08 42.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.2 tp -50.01 165.79 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.424 HG12 ' C ' ' A' ' 77' ' ' MET . 38.3 pt -140.18 143.35 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.473 ' HD3' ' CD2' ' A' ' 31' ' ' TRP . 10.1 ptmm? -132.72 147.26 52.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.47 ' HD2' ' NE1' ' A' ' 22' ' ' TRP . 5.7 ttt-85 -117.88 103.88 10.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -128.25 161.4 56.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.573 0.702 . . . . 0.0 111.094 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 153.73 68.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.703 2.269 . . . . 0.0 112.338 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.543 ' CZ ' ' HE2' ' A' ' 33' ' ' MET . 11.1 m-85 -58.99 105.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 95' ' ' PHE . 60.0 m -36.2 -42.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.827 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.4 p -117.42 93.31 4.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -112.13 89.35 0.52 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 168.93 20.12 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.1 t -137.37 155.03 49.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 53.5 m 52.73 42.23 31.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.487 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 t -101.02 -49.54 4.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.371 . . . . 0.0 110.82 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -68.93 -52.34 30.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.96 76.85 0.25 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.447 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -90.79 42.02 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 t -129.88 123.75 31.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.59 62.81 0.69 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.509 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -126.52 97.94 5.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.902 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -92.25 118.79 31.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.7 t -51.36 -38.15 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -158.74 134.08 8.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -46.52 170.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.5 ptt? -118.74 41.03 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -124.38 80.1 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.3 p -155.28 158.23 38.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.4 t -70.09 -51.42 31.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.01 105.35 12.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 85.9 m -154.33 132.0 11.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.202 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -88.67 131.4 35.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -101.16 124.16 46.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.88 162.68 12.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.447 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.511 ' CE2' ' HD3' ' A' ' 92' ' ' ARG . 12.9 m95 -106.55 145.65 31.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.429 ' CE2' ' HG3' ' A' ' 33' ' ' MET . 72.1 m-85 -140.9 155.37 46.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' A' ' 32' ' ' HIS . 24.7 p90 -137.27 125.34 22.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.451 ' HB2' ' CZ3' ' A' ' 31' ' ' TRP . 15.4 tp -55.45 145.98 21.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.03 167.57 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.078 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -64.22 -40.72 96.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.2 t -57.62 -32.33 67.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.78 -38.8 2.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -79.42 136.12 36.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.451 ' CZ3' ' HB2' ' A' ' 25' ' ' LEU . 36.9 m95 -72.56 143.7 48.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.466 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 39.9 m-70 -119.8 127.74 53.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.547 ' HE1' ' CZ ' ' A' ' 95' ' ' PHE . 5.3 ttt -64.48 146.61 54.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 51.6 m-85 -66.04 156.19 34.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.464 ' HB2' ' CB ' ' A' ' 41' ' ' GLN . 22.3 mm-40 -137.48 153.11 74.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.534 0.683 . . . . 0.0 110.938 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.563 ' N ' ' HG ' ' A' ' 45' ' ' SER . 53.5 Cg_endo -69.78 160.9 47.97 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.683 2.256 . . . . 0.0 112.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 37' ' ' ASP . 5.1 p-10 -46.17 89.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.583 ' O ' ' N ' ' A' ' 42' ' ' CYS . 5.5 t -144.65 158.11 43.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.18 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -50.03 -40.17 43.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.4 t -50.61 -75.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.464 ' CB ' ' HB2' ' A' ' 35' ' ' GLN . 5.3 tp-100 -95.4 -40.66 9.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.583 ' N ' ' O ' ' A' ' 38' ' ' THR . 43.1 t 64.02 54.96 1.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.5 t -154.43 178.2 10.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.3 m -71.53 145.54 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.563 ' HG ' ' N ' ' A' ' 36' ' ' PRO . 1.8 m -80.06 160.96 25.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.0 p -45.43 -37.35 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -53.51 -70.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -42.41 -62.36 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 17.7 mt -47.48 -60.19 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -47.98 -48.24 32.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -52.15 -47.1 65.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.1 m -68.17 -35.06 77.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.413 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 44.2 t80 -63.72 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -61.67 -64.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.6 t -63.92 -36.62 84.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -123.75 76.79 56.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.73 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -28.84 24.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.643 2.229 . . . . 0.0 112.385 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.415 ' C ' ' HB2' ' A' ' 75' ' ' ALA . 28.2 p -116.88 34.41 5.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.93 -137.4 5.58 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.425 ' CB ' ' HA ' ' A' ' 73' ' ' ASP . 23.8 p -161.65 147.14 13.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 110.871 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.1 tt -115.08 107.91 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.5 p -89.34 121.4 31.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 7.1 p90 -144.12 134.66 24.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.2 p -113.39 116.68 30.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 67' ' ' LYS . 64.6 p -88.33 139.7 30.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.7 t -40.11 -25.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 65' ' ' THR . 32.8 ttmt -84.35 -58.21 2.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.417 ' CD2' ' HG2' ' A' ' 67' ' ' LYS . 30.7 m-85 -149.36 176.32 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.9 m -102.95 150.51 23.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.572 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 81.8 m-85 -154.5 142.81 20.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -134.25 100.21 4.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.6 mt -85.32 108.52 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.425 ' HA ' ' CB ' ' A' ' 60' ' ' SER . 2.7 m-20 -92.01 97.14 10.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.413 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 23.8 m-85 -53.92 -48.07 70.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.415 ' HB2' ' C ' ' A' ' 58' ' ' CYS . . . -49.78 -41.32 44.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -83.46 -16.28 46.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.42 ' C ' HG12 ' A' ' 90' ' ' ILE . 5.1 mmt 62.48 44.71 6.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.8 162.93 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.461 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 15.3 tt0 -95.02 132.07 40.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.0 tpp -93.98 94.16 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -74.67 113.28 11.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 mt -99.22 -39.83 8.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.9 t -57.71 -39.32 76.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.0 p -108.26 -25.94 10.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.99 17.18 67.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.421 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -94.37 175.3 6.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.721 0.296 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -130.06 149.04 51.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.461 ' CG ' ' HB3' ' A' ' 79' ' ' GLN . 19.3 ptp180 -153.74 145.5 23.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 89' ' ' LEU . 4.5 mm? -83.78 155.79 22.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.42 HG12 ' C ' ' A' ' 77' ' ' MET . 39.7 pt -126.4 174.7 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -164.49 148.92 9.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.511 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 18.1 ttp85 -117.52 101.64 8.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -130.12 159.93 67.87 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.722 . . . . 0.0 111.068 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 154.59 67.57 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.647 2.232 . . . . 0.0 112.359 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.547 ' CZ ' ' HE1' ' A' ' 33' ' ' MET . 21.9 m-85 -48.27 106.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.7 m -86.85 81.64 8.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.4 p -173.59 117.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 47.06 -157.47 0.56 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 152.2 69.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.241 . . . . 0.0 112.366 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.5 p -126.33 83.9 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.6 m -163.89 129.17 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.7 p -120.46 88.36 2.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 110.856 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 t -90.23 129.74 36.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.13 112.03 4.13 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -80.07 -60.25 2.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 110.865 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 t -69.59 114.19 7.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.39 162.29 0.28 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -147.47 134.0 19.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.939 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -87.25 117.36 25.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.8 p -110.61 138.1 40.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -142.08 159.61 41.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -157.18 136.49 12.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.9 mmt -41.12 -38.91 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -99.73 167.24 10.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.0 p -130.27 171.13 13.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 17' ' ' ASP . 68.9 m -150.96 170.29 19.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' SER . 14.5 m-20 -34.33 110.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.3 m -96.96 111.39 23.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.547 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 15.6 mm-40 -75.92 145.05 40.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.645 ' C ' ' CE1' ' A' ' 95' ' ' PHE . 94.0 m95 -107.98 124.03 49.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.653 ' CA ' ' CZ ' ' A' ' 95' ' ' PHE . . . -113.85 152.13 18.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.517 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -105.32 133.86 49.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.814 0.34 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.448 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 27.8 m-85 -134.7 136.13 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -115.75 141.42 48.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 26' ' ' ALA . 32.5 tp -66.89 158.69 30.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.465 ' N ' ' HG ' ' A' ' 25' ' ' LEU . . . -120.03 -177.18 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.65 -36.47 73.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 t -84.27 26.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.53 38.82 82.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -126.88 127.09 44.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.566 ' CE3' ' HG2' ' A' ' 91' ' ' LYS . 60.2 m95 -83.68 123.84 30.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -104.65 149.49 25.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.448 ' HA ' ' CD2' ' A' ' 23' ' ' PHE . 18.7 ttt -75.63 127.53 33.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.464 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 4.5 m-85 -47.06 133.24 11.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 34' ' ' PHE . 62.3 mm-40 -158.04 151.68 19.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.556 0.693 . . . . 0.0 110.939 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 37' ' ' ASP . 54.1 Cg_endo -69.76 121.55 8.24 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.643 2.228 . . . . 0.0 112.391 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 36' ' ' PRO . 3.5 m-20 -35.68 -50.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.7 p -141.21 122.7 15.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -51.67 -49.51 62.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.6 p -50.68 -61.08 2.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -121.99 79.08 1.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.409 ' HB2' ' CB ' ' A' ' 36' ' ' PRO . 31.3 p -95.28 167.16 11.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.6 t -115.29 -62.33 1.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.459 HG11 ' CG ' ' A' ' 63' ' ' PHE . 17.8 m -131.71 157.48 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 47' ' ' GLU . 62.6 m -138.18 163.04 32.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 45' ' ' SER . 53.6 p -33.32 -35.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 45' ' ' SER . 14.1 tt0 -71.7 -59.49 2.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -38.96 -49.84 1.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 52' ' ' SER . 5.3 mp -62.52 -64.83 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' ILE . 38.7 tt0 -37.52 -45.77 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -61.55 -44.38 97.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 49' ' ' ILE . 66.1 m -67.6 -34.4 76.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.483 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 78.6 t80 -71.58 -37.3 71.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -61.76 -59.4 5.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.1 t -61.11 -39.01 88.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -133.08 96.14 17.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.641 0.734 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -19.54 36.1 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 81.7 m -124.1 40.71 3.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.64 165.31 16.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.8 p -111.57 150.98 29.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.349 . . . . 0.0 110.905 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.408 ' CG2' ' HB ' ' A' ' 72' ' ' ILE . 12.0 tt -119.8 103.74 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.2 p -85.02 119.71 25.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 7.3 p90 -145.15 136.7 25.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.1 p -110.53 117.68 34.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.16 -174.56 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 m -64.66 99.82 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.611 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 14.5 tptm 67.34 31.49 6.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.611 ' CD1' ' O ' ' A' ' 67' ' ' LYS . 25.1 m-85 -157.84 157.22 32.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.17 148.75 49.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.566 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 84.5 m-85 -154.51 139.0 16.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 80' ' ' MET . 4.2 ttmt -126.67 126.88 44.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.413 HD12 ' NE2' ' A' ' 79' ' ' GLN . 78.8 mt -117.85 113.08 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.19 118.87 37.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.483 ' CE1' ' HB2' ' A' ' 53' ' ' PHE . 29.4 m-85 -68.92 -53.2 22.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.59 -37.29 39.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -83.49 -15.94 47.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.8 mmt 55.56 45.01 25.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -159.44 149.85 19.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.413 ' NE2' HD12 ' A' ' 72' ' ' ILE . 33.6 tt0 -95.68 109.9 22.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 71' ' ' LYS . 35.0 tpp -85.95 112.2 20.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' ' 82' ' ' LEU . 23.6 t-20 -83.45 144.93 29.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 1.5 mm? -115.37 -41.56 3.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.8 t -47.63 -46.98 29.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.6 p -115.69 -25.08 7.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 89.89 26.95 22.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.446 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.0 mmtm -84.91 173.75 10.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.687 0.279 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -137.51 141.79 41.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -155.95 130.53 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.6 mt -63.71 161.53 14.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 45.6 pt -136.35 149.72 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.566 ' HG2' ' CE3' ' A' ' 31' ' ' TRP . 13.2 pttp -143.65 155.35 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 66.6 ttp85 -120.99 103.1 8.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -125.03 152.61 70.71 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.567 0.699 . . . . 0.0 111.077 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 141.94 46.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.374 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.653 ' CZ ' ' CA ' ' A' ' 21' ' ' GLY . 6.9 m-85 -63.81 162.4 13.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.7 m -110.98 89.5 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.8 t -50.34 98.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -61.18 150.18 44.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 112.27 3.03 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.301 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.9 t -72.63 126.46 29.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 m 62.64 43.29 7.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.0 p -143.94 132.91 22.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.369 . . . . 0.0 110.87 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -131.19 167.7 18.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.19 113.75 3.87 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 p -146.25 137.0 24.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 m -122.01 116.72 24.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.64 113.93 0.95 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -78.78 164.95 24.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -107.32 122.17 46.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.6 t -127.42 98.11 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.9 168.17 12.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -153.66 169.86 22.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.8 tpp -39.33 152.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -86.28 130.25 34.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.3 p -129.26 154.2 47.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.4 m -84.52 -55.52 4.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -78.46 114.26 17.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.1 m -154.68 131.97 11.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.199 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -79.4 126.38 30.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -101.32 116.92 33.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.547 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -98.11 151.57 19.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.52 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.52 ' CD2' HG21 ' A' ' 49' ' ' ILE . 9.9 m95 -107.77 140.11 41.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.769 0.319 . . . . 0.0 110.932 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -141.45 150.74 42.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.598 ' CE1' ' NH1' ' A' ' 88' ' ' ARG . 28.0 p90 -137.89 147.58 44.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.499 ' HB2' ' CE2' ' A' ' 31' ' ' TRP . 9.5 tp -75.99 116.33 16.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.71 163.97 19.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -59.38 -39.67 84.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 91.2 m -58.6 -30.74 67.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.95 -39.08 2.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.407 ' HD3' ' N ' ' A' ' 31' ' ' TRP . 3.4 tmtt? -79.78 128.41 33.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.499 ' CE2' ' HB2' ' A' ' 25' ' ' LEU . 24.3 m95 -67.36 132.9 48.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -100.68 129.77 46.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.568 ' HE3' ' CE1' ' A' ' 95' ' ' PHE . 13.1 ttt -67.16 128.03 34.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.422 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 6.4 m-85 -48.86 121.35 4.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.466 ' NE2' ' HD2' ' A' ' 36' ' ' PRO . 12.1 mm100 -153.22 160.14 31.32 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.466 ' HD2' ' NE2' ' A' ' 35' ' ' GLN . 54.3 Cg_endo -69.79 132.79 24.03 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.68 2.254 . . . . 0.0 112.392 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -76.41 -71.97 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.412 ' CG2' ' H ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -90.09 -172.99 3.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.412 ' H ' ' CG2' ' A' ' 38' ' ' THR . 2.8 m120 -95.92 -56.34 2.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 42' ' ' CYS . 96.2 p -88.52 140.0 29.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 40' ' ' SER . 10.7 pm0 37.15 28.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' SER . 14.1 p -55.03 -179.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.9 p -68.42 -173.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.845 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.564 HG21 ' CE2' ' A' ' 63' ' ' PHE . 35.7 m -81.57 152.08 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.146 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 46' ' ' SER . 8.1 m -111.45 157.58 20.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.793 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 45' ' ' SER . 65.9 p -34.77 -36.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.848 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 45' ' ' SER . 2.8 tp10 -68.71 -62.66 1.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -39.2 -48.21 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.52 HG21 ' CD2' ' A' ' 22' ' ' TRP . 5.2 mp -62.18 -69.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.456 ' OE2' ' CG ' ' A' ' 54' ' ' LYS . 14.8 tm-20 -38.41 -33.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -68.91 -47.46 65.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' ILE . 22.8 t -68.3 -40.77 81.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 5.0 t80 -71.51 -30.17 65.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.456 ' CG ' ' OE2' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -53.44 -51.89 61.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.447 HG22 ' N ' ' A' ' 56' ' ' ASN . 8.9 t -81.2 -30.78 34.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.447 ' N ' HG22 ' A' ' 55' ' ' THR . 10.5 t-20 -133.01 87.48 39.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.615 0.722 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.413 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . 53.4 Cg_endo -69.71 -13.99 35.59 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.688 2.259 . . . . 0.0 112.354 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 96.3 m -122.08 33.33 5.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -105.72 -132.87 7.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.5 p -173.85 172.92 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.828 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.6 tt -152.63 106.84 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.15 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.2 t -93.87 135.38 35.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.564 ' CE2' HG21 ' A' ' 44' ' ' VAL . 54.9 p90 -160.56 175.38 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.409 HG21 ' C ' ' A' ' 63' ' ' PHE . 66.1 p -143.8 164.08 31.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.8 p -110.09 -69.94 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.2 p -127.68 -68.1 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -123.93 -18.39 5.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.54 ' CD2' ' OG1' ' A' ' 83' ' ' THR . 3.3 m-85 -99.73 153.66 18.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.436 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 18.2 m -115.71 161.82 18.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.835 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.436 ' CD1' ' O ' ' A' ' 69' ' ' SER . 52.2 m-85 -154.02 133.67 12.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.942 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -127.64 110.43 12.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 86.1 mt -88.82 99.23 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.76 117.57 23.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -78.8 -45.7 20.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.1 -33.17 17.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -97.33 -6.35 34.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.413 ' C ' HG12 ' A' ' 90' ' ' ILE . 76.5 mmm 54.82 49.24 18.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.29 161.63 27.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.91 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.46 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 19.9 tm0? -95.52 109.24 21.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -78.9 113.45 17.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.475 ' ND2' ' CG2' ' A' ' 84' ' ' THR . 10.8 t-20 -84.87 146.25 27.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 1.0 OUTLIER -115.56 -26.23 7.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.54 ' OG1' ' CD2' ' A' ' 68' ' ' PHE . 7.4 t -68.43 -42.82 78.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.475 ' CG2' ' ND2' ' A' ' 81' ' ' ASN . 0.6 OUTLIER -124.79 -21.77 4.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 85.06 13.51 71.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -75.4 127.89 34.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.706 0.289 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -89.44 147.6 23.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.598 ' NH1' ' CE1' ' A' ' 24' ' ' TYR . 4.3 ptp180 -148.31 130.04 15.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 45.2 mt -66.64 147.17 53.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.413 HG12 ' C ' ' A' ' 77' ' ' MET . 28.8 pt -123.62 170.47 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -153.26 155.55 36.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.514 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 37.0 ttp85 -131.19 97.12 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -128.37 151.84 77.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.6 0.714 . . . . 0.0 111.078 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 161.63 45.16 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.41 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.568 ' CE1' ' HE3' ' A' ' 33' ' ' MET . 23.1 m-85 -80.82 81.21 7.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.4 m -129.06 120.96 26.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.8 p -133.57 91.43 2.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 146.67 122.23 1.38 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 100.74 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.73 2.286 . . . . 0.0 112.31 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 62.8 m 56.11 42.56 28.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.8 m -109.08 -45.04 3.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 -179.937 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -119.77 42.22 2.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.831 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 t -105.57 144.8 31.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.09 178.18 33.85 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.517 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 t -66.25 94.7 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.885 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.0 p -168.37 176.42 5.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.75 136.03 12.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -157.48 117.05 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.774 0.321 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -79.77 121.34 25.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.9 m -89.69 171.82 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -76.88 155.84 32.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 13' ' ' MET . 4.0 p30 -162.0 137.49 7.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.44 ' C ' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER 34.46 41.25 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -142.55 147.87 36.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.1 p -42.49 112.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.3 t -167.8 131.99 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -69.38 94.61 0.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.4 m -87.32 107.54 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -76.04 119.26 19.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -90.22 127.78 36.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -115.83 163.68 12.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.538 ' CD1' ' HB2' ' A' ' 50' ' ' GLU . 11.0 m95 -112.62 158.47 19.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 33' ' ' MET . 32.9 m-85 -148.58 163.18 38.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.452 ' HH ' ' NE2' ' A' ' 41' ' ' GLN . 19.1 p90 -144.22 133.92 23.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.6 tp -59.77 160.07 7.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.63 -179.02 4.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -69.84 -29.66 66.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 67.2 m -90.69 26.24 2.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.11 37.71 64.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -126.14 127.12 45.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -84.39 109.17 17.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -87.39 161.31 17.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.573 ' HG3' ' CE2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -88.79 141.13 28.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.523 ' CD1' HD11 ' A' ' 49' ' ' ILE . 9.3 m-85 -67.61 142.06 56.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.465 ' CG ' ' HB2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -133.56 158.85 74.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.587 0.708 . . . . 0.0 110.909 -179.899 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 37' ' ' ASP . 53.7 Cg_endo -69.75 161.49 45.72 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.643 2.228 . . . . 0.0 112.35 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' PRO . 4.4 p30 -37.62 102.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.536 ' O ' ' N ' ' A' ' 42' ' ' CYS . 9.9 m -149.22 149.45 30.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -48.47 -55.9 9.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.5 p -39.23 -74.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.465 ' HB2' ' CG ' ' A' ' 35' ' ' GLN . 63.4 mt-30 -119.65 56.02 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 38' ' ' THR . 16.8 p -33.75 99.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 35' ' ' GLN . 85.2 p -175.19 167.73 3.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.476 ' CG2' HD12 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -71.45 156.5 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.6 m -82.93 155.76 23.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.0 p -39.27 -51.44 2.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -43.82 -52.37 6.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.17 -70.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.523 HD11 ' CD1' ' A' ' 34' ' ' PHE . 5.3 mp -39.76 -46.45 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.538 ' HB2' ' CD1' ' A' ' 22' ' ' TRP . 37.1 tt0 -63.33 -50.85 68.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -52.75 -29.7 28.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.6 t -83.82 -30.8 26.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -71.91 -38.81 69.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -50.79 -55.13 18.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.0 t -72.64 -39.78 66.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.153 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -116.36 78.8 8.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.652 0.739 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -29.25 23.93 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.647 2.231 . . . . 0.0 112.37 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.41 ' C ' ' HB3' ' A' ' 75' ' ' ALA . 84.2 m -119.87 38.5 3.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.22 -132.79 3.95 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.513 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.6 p -168.72 145.44 3.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.4 tt -108.08 118.7 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.6 t -99.47 130.97 45.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 6.5 p90 -154.34 141.86 19.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.8 p -118.4 116.83 27.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' PHE . 77.3 p -90.17 -178.11 5.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.42 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 31.7 t -50.11 119.71 3.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 68' ' ' PHE . 7.5 ptpp? 38.04 38.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' THR . 46.0 m-85 -158.97 141.33 13.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.9 m -125.95 149.91 48.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.577 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 98.6 m-85 -152.08 167.61 27.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -155.0 105.01 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.422 HG13 ' NE2' ' A' ' 79' ' ' GLN . 36.2 mt -89.42 108.16 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.96 118.25 26.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -80.35 -44.98 18.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.41 ' HB3' ' C ' ' A' ' 58' ' ' CYS . . . -55.77 -39.28 71.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -86.79 -13.37 45.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.7 mmt 60.23 46.97 9.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -158.9 153.82 24.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.487 ' OE1' ' N ' ' A' ' 80' ' ' MET . 2.7 tp60 -95.23 132.55 40.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.487 ' N ' ' OE1' ' A' ' 79' ' ' GLN . 25.1 tpp -97.91 111.34 23.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -86.91 101.47 13.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.8 mt -86.61 -40.07 15.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.0 t -41.58 -43.0 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 69.6 p -116.8 -25.35 7.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.77 33.7 6.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -102.67 173.6 6.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.737 0.303 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -119.44 123.67 44.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 79' ' ' GLN . 35.6 mmt-85 -125.8 158.3 35.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 mp -101.72 167.84 9.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.7 pt -145.04 170.15 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -170.3 151.68 3.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.5 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 34.6 ttp85 -108.88 120.46 42.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -151.8 152.07 29.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 111.081 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 144.52 54.58 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -56.52 155.51 7.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.6 m -121.9 44.72 2.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.4 t -89.0 43.55 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 60.39 -157.92 27.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 177.37 5.63 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.2 p -104.67 122.47 45.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.0 t -160.58 142.56 12.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -170.71 162.14 7.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 m -120.09 88.95 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.9 137.94 41.68 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -166.23 139.48 4.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.926 0.393 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.6 m -81.86 86.55 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.21 -121.57 3.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -57.47 175.62 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 110.942 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -78.46 107.6 11.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.482 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 33.4 m -86.81 83.31 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.153 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -92.94 128.87 38.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -100.63 105.63 17.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.9 mmt -132.85 120.48 21.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -172.62 177.16 3.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.1 t -130.23 -44.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.2 m -93.59 165.49 12.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 45.8 41.04 7.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.3 m -84.84 107.42 16.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -83.26 126.17 32.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -90.12 108.37 19.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.34 159.37 21.85 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.522 ' CD2' HG23 ' A' ' 49' ' ' ILE . 12.3 m95 -111.78 141.68 45.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.733 0.302 . . . . 0.0 110.982 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 9.6 m-85 -130.04 168.5 16.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.445 ' HB3' ' CE1' ' A' ' 34' ' ' PHE . 30.3 p90 -155.52 126.72 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.952 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.537 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 9.6 tt -72.72 134.11 44.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.78 179.11 4.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -64.82 -19.87 66.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.5 p -87.96 25.26 1.59 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.82 34.69 5.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -131.34 118.19 19.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.332 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.537 ' CZ2' HD13 ' A' ' 25' ' ' LEU . 44.5 m95 -74.88 106.75 6.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -91.61 115.86 28.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.556 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 6.8 ttt -58.84 115.98 3.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.445 ' CE1' ' HB3' ' A' ' 24' ' ' TYR . 30.0 m-85 -34.84 144.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -171.09 155.8 4.5 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.565 0.698 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 110.42 2.55 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.685 2.257 . . . . 0.0 112.361 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' THR . 1.4 m-20 -73.86 177.27 5.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' ASP . 74.0 p -38.02 157.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -50.54 -42.8 55.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.0 t -65.89 -39.96 91.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.402 ' C ' HG22 ' A' ' 65' ' ' THR . 11.3 mm100 -103.37 33.88 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 t -98.33 96.21 7.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.1 p -111.03 -67.46 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.816 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.1 m -131.79 155.11 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 47' ' ' GLU . 18.7 m -123.69 159.03 30.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.838 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' SER . 89.1 p -34.48 -34.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 45' ' ' SER . 21.1 tp10 -64.24 -62.47 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -41.98 -56.37 2.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.522 HG23 ' CD2' ' A' ' 22' ' ' TRP . 5.3 mp -49.93 -40.05 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -71.01 -58.07 3.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.11 -29.71 32.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.8 m -73.65 -50.09 22.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 53' ' ' PHE . 2.1 t80 -62.47 -24.34 67.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -54.05 -56.17 20.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.426 HG21 ' N ' ' A' ' 56' ' ' ASN . 4.9 t -72.64 -38.36 67.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.426 ' N ' HG21 ' A' ' 55' ' ' THR . 11.1 t-20 -126.77 88.49 54.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.718 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.417 ' HB3' ' CE1' ' A' ' 53' ' ' PHE . 54.3 Cg_endo -69.78 -13.64 34.92 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.2 p -130.1 31.4 4.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -108.27 -143.63 10.66 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.534 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.4 p -153.31 166.05 33.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.468 ' CG2' ' HB ' ' A' ' 72' ' ' ILE . 8.6 tt -139.69 113.29 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.15 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.2 p -99.55 132.27 45.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -152.78 174.36 14.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 75.7 p -146.32 136.26 23.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.175 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.402 HG22 ' C ' ' A' ' 41' ' ' GLN . 0.2 OUTLIER -79.46 -75.37 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.9 t -122.72 -66.82 0.99 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.4 tptt -126.13 -9.63 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.517 ' CD2' ' OG1' ' A' ' 83' ' ' THR . 3.1 m-85 -103.74 158.76 16.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.6 m -119.48 157.11 28.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -150.73 135.63 17.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.465 ' N ' HD22 ' A' ' 82' ' ' LEU . 19.9 tttp -119.47 135.9 54.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.468 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 96.5 mt -123.02 96.93 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.55 116.68 23.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -73.36 -43.48 60.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.84 -42.63 36.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -87.15 -5.53 58.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 mmt 54.32 45.17 27.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -160.02 158.97 31.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.466 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 34.9 tt0 -98.04 123.73 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' LYS . 57.4 ttm -96.49 118.45 33.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.407 ' HB2' ' N ' ' A' ' 86' ' ' LYS . 2.4 m120 -80.31 144.78 32.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.489 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 1.6 mm? -112.99 -31.21 6.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.517 ' OG1' ' CD2' ' A' ' 68' ' ' PHE . 7.0 t -68.08 -53.2 27.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.0 p -107.8 -24.75 11.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.08 30.36 31.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.533 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.407 ' N ' ' HB2' ' A' ' 81' ' ' ASN . 14.0 mmmt -76.71 174.14 10.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.324 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -135.4 120.9 19.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.466 ' CG ' ' HB3' ' A' ' 79' ' ' GLN . 5.9 ptp180 -125.41 -178.57 4.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.6 mt -120.43 155.46 33.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.8 pt -131.34 160.69 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.414 ' HG2' ' CE3' ' A' ' 31' ' ' TRP . 15.7 pttm -151.82 144.63 24.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.487 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 5.7 ttp-105 -112.26 116.01 29.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -151.72 162.98 25.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.533 0.682 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.67 68.65 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.524 ' CD2' ' HE2' ' A' ' 33' ' ' MET . 21.1 m-85 -44.67 169.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 45.5 p -110.16 42.14 1.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.2 p 38.63 42.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -40.3 158.2 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 115.76 4.24 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.655 2.237 . . . . 0.0 112.354 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.3 t -98.31 -46.94 5.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.824 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.0 m -78.85 111.44 15.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.481 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -102.59 168.59 9.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 t -90.74 -61.86 1.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.63 95.37 0.17 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 m -78.41 112.99 16.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.909 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.4 p -157.38 123.98 4.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.48 -61.62 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -86.51 94.05 9.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -119.58 101.94 8.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.4 m -139.61 129.71 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -96.72 -176.64 3.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.91 70.45 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.1 mmt -135.64 154.1 51.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -91.76 55.05 2.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.1 p -85.46 -45.23 12.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -103.47 37.89 1.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.9 t0 59.05 46.85 12.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.8 m -45.66 104.68 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.538 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 26.0 mm-40 -75.03 146.31 41.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -108.75 105.97 15.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.47 140.15 14.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.479 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.564 ' CE3' HG21 ' A' ' 49' ' ' ILE . 8.1 m95 -91.9 146.82 23.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.74 0.305 . . . . 0.0 110.95 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -136.23 167.47 21.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -144.47 138.92 27.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.9 tp -69.59 133.55 47.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.954 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.2 -176.15 4.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.86 -55.12 25.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 72.9 m -56.41 -33.35 65.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.48 42.11 0.65 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.451 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -129.07 142.69 50.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.786 0.326 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.447 ' CE3' ' HG2' ' A' ' 91' ' ' LYS . 65.4 m95 -85.76 118.21 25.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -101.4 161.84 13.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.1 ttt -91.6 118.36 30.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -45.52 127.81 7.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -152.03 157.55 34.13 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.568 0.699 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 123.73 10.37 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.31 -71.27 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.5 t -102.01 -175.74 2.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -90.23 -56.17 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.5 t -55.29 -75.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.467 ' O ' ' C ' ' A' ' 42' ' ' CYS . 6.8 mm100 -90.67 34.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.467 ' C ' ' O ' ' A' ' 41' ' ' GLN . 28.9 p -33.19 135.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.472 ' HA ' ' CG2' ' A' ' 65' ' ' THR . 4.7 p -63.52 -174.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.519 ' CG2' ' HB3' ' A' ' 48' ' ' ASP . 6.4 p -84.87 139.47 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 47' ' ' GLU . 1.2 m -98.8 143.83 28.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 45' ' ' SER . 13.7 p -31.98 -35.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 45' ' ' SER . 24.0 tt0 -46.75 -59.33 3.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.519 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 2.4 t0 -58.61 -69.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.564 HG21 ' CE3' ' A' ' 22' ' ' TRP . 4.2 mp -33.12 -36.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 48' ' ' ASP . 5.6 tp10 -73.96 -64.21 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.487 ' CG ' ' N ' ' A' ' 52' ' ' SER . 8.9 ptpt -48.84 -47.49 42.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.487 ' N ' ' CG ' ' A' ' 51' ' ' LYS . 8.5 t -58.24 -49.11 78.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.435 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 23.4 t80 -58.26 -43.75 88.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -50.56 -62.71 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 t -66.32 -36.07 81.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.203 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -124.64 79.94 62.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.733 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -21.36 33.69 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.734 2.289 . . . . 0.0 112.337 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.1 p -122.26 33.63 5.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -111.41 -138.71 7.68 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.8 p -168.68 131.23 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.358 . . . . 0.0 110.855 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.417 ' CG2' ' O ' ' A' ' 61' ' ' ILE . 17.8 tt -101.99 105.49 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.6 p -95.57 125.83 40.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 70' ' ' TYR . 50.0 p90 -139.33 178.95 6.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.0 p -143.54 163.09 34.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 43' ' ' SER . 4.3 p -143.31 -175.26 4.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.485 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 5.6 m -35.98 102.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.577 ' HE3' ' CE1' ' A' ' 68' ' ' PHE . 8.1 pttt 37.99 46.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.577 ' CE1' ' HE3' ' A' ' 67' ' ' LYS . 21.4 m-85 -152.5 161.05 43.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 t -129.06 150.4 50.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.57 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 82.3 m-85 -154.28 133.4 12.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' MET . 22.7 tttt -127.11 131.18 50.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 81.9 mt -120.95 98.53 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -86.01 109.27 18.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.435 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 24.0 m-85 -60.77 -45.07 95.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.15 -47.22 45.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -83.32 -2.6 56.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.1 mmt 45.61 53.01 8.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -159.71 156.7 28.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -96.08 108.74 21.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 71' ' ' LYS . 36.6 tpp -86.16 111.47 20.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.509 ' OD1' ' CE1' ' A' ' 70' ' ' TYR . 19.8 t-20 -82.86 146.31 28.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -115.83 -46.06 2.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.9 t -48.74 -46.94 41.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 45.5 p -112.84 -24.01 9.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.52 21.83 59.46 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.464 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -76.82 172.57 12.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.741 0.305 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -120.48 138.32 53.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -144.47 162.55 36.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -107.22 164.81 11.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 34.0 pt -138.93 172.03 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.447 ' HG2' ' CE3' ' A' ' 31' ' ' TRP . 36.6 pttt -171.82 154.27 3.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.502 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 31.8 ttp85 -119.06 129.75 55.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -153.0 158.11 32.94 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.609 0.719 . . . . 0.0 111.118 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 143.07 49.53 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.626 ' C ' ' CD1' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -125.09 129.43 50.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.2 m -148.98 168.78 22.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.2 t -108.35 -46.86 3.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 171.15 146.17 5.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.529 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -9.04 25.13 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.376 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.1 m -119.47 167.12 12.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t 70.68 40.6 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.3 p -54.45 -45.16 73.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.388 . . . . 0.0 110.827 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.2 p 41.36 42.17 1.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.02 -122.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t 60.45 42.44 14.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.373 . . . . 0.0 110.849 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 p -160.66 155.51 24.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.28 -118.12 6.08 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.546 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' GLU . 24.7 m120 -159.8 170.02 22.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' ASN . 2.8 pm0 -35.68 138.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.4 m -95.58 -27.47 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -53.99 138.97 35.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -108.12 161.7 14.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.419 ' HG3' ' N ' ' A' ' 14' ' ' ASP . 6.4 ptp -79.32 -36.85 38.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 13' ' ' MET . 10.6 t0 -116.48 109.94 17.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.3 p -136.18 153.01 51.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.3 t -116.52 -54.55 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.833 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.32 78.92 7.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.6 m -118.24 115.82 25.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -76.06 136.22 39.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -102.46 123.01 45.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.41 176.39 18.91 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.482 ' CH2' ' CD1' ' A' ' 74' ' ' PHE . 14.2 m95 -121.05 141.88 50.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.787 0.327 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 58.6 m-85 -132.18 156.04 47.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.437 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 37.5 p90 -137.3 129.27 29.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.5 tp -62.34 150.91 38.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -109.23 171.59 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -63.5 -44.19 95.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.2 m -62.35 -31.51 72.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.62 38.61 0.97 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -134.68 129.88 35.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 110.839 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -81.23 112.79 18.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -104.98 136.83 43.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.653 ' CE ' ' CE2' ' A' ' 95' ' ' PHE . 2.9 tpt -64.26 150.41 46.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.568 ' CZ ' HD12 ' A' ' 49' ' ' ILE . 24.1 m-85 -66.42 170.68 5.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.444 ' HB2' ' CB ' ' A' ' 41' ' ' GLN . 84.3 mm-40 -153.54 156.76 32.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.515 ' O ' ' N ' ' A' ' 38' ' ' THR . 54.1 Cg_endo -69.71 157.79 59.25 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.344 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 43' ' ' SER . 5.8 p-10 -52.01 84.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.515 ' N ' ' O ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -129.53 158.67 38.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -49.91 -53.09 28.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.8 m -56.07 -70.5 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.444 ' CB ' ' HB2' ' A' ' 35' ' ' GLN . 40.1 mt-30 -109.46 59.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' A' ' 38' ' ' THR . 15.7 p -50.8 94.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 37' ' ' ASP . 2.0 m -174.85 -179.75 1.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.803 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.41 HG23 ' CD1' ' A' ' 49' ' ' ILE . 33.9 m -83.57 147.85 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.471 ' HG ' ' N ' ' A' ' 36' ' ' PRO . 1.6 m -80.11 153.99 28.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.9 p -42.35 -35.34 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -56.61 -63.29 1.25 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -43.89 -71.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.568 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 14.7 mt -39.05 -56.91 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' LYS . 33.7 tt0 -48.79 -58.21 5.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLU . 11.1 ttpt -36.48 -38.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.2 m -78.06 -46.6 20.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 62.3 t80 -56.5 -40.63 75.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -51.39 -58.12 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.459 HG21 ' N ' ' A' ' 56' ' ' ASN . 5.3 t -69.91 -38.77 76.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.459 ' N ' HG21 ' A' ' 55' ' ' THR . 11.6 t-20 -130.85 91.94 35.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.669 0.747 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -10.76 29.32 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.715 2.276 . . . . 0.0 112.342 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 91.4 m -133.33 40.21 3.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.27 -158.56 11.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 25.5 p -144.45 149.17 35.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.368 . . . . 0.0 110.825 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.9 tt -122.27 110.32 26.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.2 p -95.21 112.61 24.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -139.17 -179.72 6.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 71.1 p -139.5 167.26 22.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 30.7 p -132.89 -48.62 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 68' ' ' PHE . 80.9 p -158.13 107.92 2.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.58 ' HE2' ' CE1' ' A' ' 68' ' ' PHE . 4.2 pttm 38.19 27.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.58 ' CE1' ' HE2' ' A' ' 67' ' ' LYS . 17.6 m-85 -139.56 173.65 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 m -136.23 146.9 47.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -140.95 136.75 32.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -124.34 125.17 43.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 91.8 mt -115.99 105.18 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.02 114.98 26.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.482 ' CD1' ' CH2' ' A' ' 22' ' ' TRP . 23.7 m-85 -69.41 -51.98 31.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -46.58 -39.72 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -82.74 -19.06 38.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.42 ' C ' HG12 ' A' ' 90' ' ' ILE . 8.6 mmt 61.65 47.0 6.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.415 ' N ' HG12 ' A' ' 90' ' ' ILE . 7.5 ptpp? -162.42 152.98 17.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -95.08 117.76 30.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 59.5 ttm -94.18 109.69 21.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -79.43 145.11 33.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.508 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 1.3 mm? -113.44 -36.97 4.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.526 ' OG1' ' CD1' ' A' ' 68' ' ' PHE . 5.2 t -62.27 -46.36 89.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.4 p -108.59 -25.92 10.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 85.0 28.83 30.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.538 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -91.22 175.39 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -144.01 146.57 32.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -157.21 121.97 4.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.3 mt -53.81 155.11 3.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.42 HG12 ' C ' ' A' ' 77' ' ' MET . 26.1 pt -129.26 157.63 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.412 ' NZ ' ' HB2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -149.66 138.9 21.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.4 ttp85 -99.49 111.81 24.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -138.49 160.78 62.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.537 0.684 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 170.16 17.24 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.653 ' CE2' ' CE ' ' A' ' 33' ' ' MET . 74.7 m-85 -78.19 98.91 6.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.8 m -81.51 105.03 12.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.5 m -139.44 168.14 20.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.87 -159.4 21.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 99.53 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.72 2.28 . . . . 0.0 112.358 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.9 m -100.77 119.75 39.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.5 t -73.08 90.71 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.0 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.691 0.281 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -87.84 127.63 35.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -90.0 130.48 36.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.562 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -107.9 151.39 16.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.465 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 22.1 m95 -107.91 141.33 39.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.857 0.361 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -136.16 162.23 33.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -143.88 131.02 20.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.5 tp -64.37 144.52 57.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.5 -175.39 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -78.4 -33.92 48.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.9 m -70.14 -30.81 68.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.81 34.53 1.68 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -135.45 118.06 15.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.328 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -66.91 115.52 6.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -101.68 137.69 39.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.422 ' HB3' ' NE2' ' A' ' 35' ' ' GLN . 1.6 tmt? -73.94 154.05 39.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.595 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 79.8 m-85 -77.13 109.06 10.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.422 ' NE2' ' HB3' ' A' ' 33' ' ' MET . 20.8 mp0 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.619 0.723 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.837 0.351 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.65 151.89 28.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.0 p -49.2 -19.28 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -77.83 -48.69 15.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -62.88 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.595 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 41.0 mt -47.08 -57.43 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -52.09 -56.64 13.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -38.86 -39.02 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.692 ' OG ' HD12 ' A' ' 61' ' ' ILE . 66.9 m -71.11 -64.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.434 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 5.2 t80 -38.22 -32.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -58.16 -65.13 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.9 t -64.71 -38.57 91.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.455 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 25.5 p-10 -125.57 82.19 63.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -15.31 36.91 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.279 . . . . 0.0 112.315 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.5 p -127.99 41.6 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.5 -142.27 5.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.505 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.5 p -159.88 142.26 13.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.351 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.692 HD12 ' OG ' ' A' ' 52' ' ' SER . 15.7 tt -107.56 106.94 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.2 p -86.06 126.4 34.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.492 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 23.4 p90 -150.01 157.35 43.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.453 HG22 ' OG ' ' A' ' 69' ' ' SER . 24.1 p -125.99 125.54 42.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.178 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.0 t -152.42 169.18 23.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.417 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 3.7 t 47.49 52.85 11.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.422 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 6.7 ptpp? 41.89 37.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.467 ' CD1' ' OG1' ' A' ' 83' ' ' THR . 47.9 m-85 -159.0 150.68 20.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.453 ' OG ' HG22 ' A' ' 64' ' ' THR . 58.5 m -93.52 142.97 26.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.539 ' CE1' ' OD1' ' A' ' 81' ' ' ASN . 57.5 m-85 -140.06 146.16 38.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.423 ' NZ ' ' OD1' ' A' ' 73' ' ' ASP . 29.2 tttm -132.9 139.35 47.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 74.9 mt -124.43 107.51 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.423 ' OD1' ' NZ ' ' A' ' 71' ' ' LYS . 7.1 m-20 -94.17 99.62 11.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -60.45 -45.83 92.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.11 -40.15 60.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.96 -11.95 59.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.2 mmt 62.43 39.03 12.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.764 ' HB3' HD13 ' A' ' 89' ' ' LEU . 4.9 pttm -162.33 163.49 27.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -98.68 130.86 45.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 43.1 ttm -102.05 116.16 32.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.648 ' C ' HD22 ' A' ' 82' ' ' LEU . 10.8 t-20 -90.98 149.77 21.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.847 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -122.33 -26.58 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.592 HG23 ' N ' ' A' ' 84' ' ' THR . 7.1 t -68.87 -52.83 25.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.592 ' N ' HG23 ' A' ' 83' ' ' THR . 71.9 p -110.75 -20.41 12.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.61 31.11 51.34 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.442 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -87.98 131.24 34.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -90.46 135.38 33.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -147.24 121.97 9.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.764 HD13 ' HB3' ' A' ' 78' ' ' LYS . 4.2 mm? -76.1 144.78 40.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.3 pt -111.87 -176.75 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.1 pttm -171.62 144.5 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 38.6 ttp85 -111.0 126.21 54.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -156.81 151.97 21.52 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.563 0.697 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 152.48 69.38 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.657 2.238 . . . . 0.0 112.377 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.562 ' CE1' ' HA3' ' A' ' 21' ' ' GLY . 29.3 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.8 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.748 0.308 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -89.33 134.89 33.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -112.03 121.99 46.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.483 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -114.7 156.4 15.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.413 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 9.3 m95 -108.42 134.5 51.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.823 0.344 . . . . 0.0 110.922 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.402 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 81.3 m-85 -130.9 136.91 49.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -121.52 139.28 53.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.986 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.87 143.32 57.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.22 168.31 9.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -64.06 -38.82 92.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 74.3 m -57.4 -29.01 63.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.57 -36.2 2.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -81.98 156.13 24.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.778 0.323 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -91.65 143.41 26.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -114.4 148.35 37.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.591 ' CE ' ' CE1' ' A' ' 95' ' ' PHE . 3.4 ttt -74.7 130.0 38.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.523 ' HD2' HD13 ' A' ' 49' ' ' ILE . 4.0 m-85 -45.06 122.17 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.562 0.696 . . . . 0.0 110.94 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.6 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.821 0.344 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.677 ' O ' HD12 ' A' ' 49' ' ' ILE . 29.4 m -137.17 168.36 19.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.2 p -41.05 -24.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' SER . 14.5 tt0 -82.12 -53.38 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -47.61 -51.57 20.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.677 HD12 ' O ' ' A' ' 45' ' ' SER . 5.3 mp -57.51 -69.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' A' ' 51' ' ' LYS . 9.3 tm-20 -35.85 -48.11 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.461 ' N ' ' OE1' ' A' ' 50' ' ' GLU . 24.0 tttp -62.99 -42.35 99.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 49' ' ' ILE . 17.2 t -65.78 -50.67 63.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.408 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 44.4 t80 -52.26 -40.43 61.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -56.63 -49.61 74.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.8 m -58.91 -53.13 61.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.407 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 26.3 t30 -130.74 90.71 39.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.711 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 56' ' ' ASN . 53.7 Cg_endo -69.78 -0.63 7.2 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.35 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.57 ' C ' ' HB2' ' A' ' 75' ' ' ALA . 96.6 m -131.49 29.78 4.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -115.46 -149.63 9.58 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.537 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.6 p -154.53 141.16 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.84 0.352 . . . . 0.0 110.85 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.544 HG23 ' O ' ' A' ' 61' ' ' ILE . 12.9 tt -114.9 111.2 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.6 p -92.54 128.26 38.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 10.1 p90 -151.27 133.19 15.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 48.7 p -118.58 123.61 45.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 71.4 p -92.52 158.95 15.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.6 t -53.87 -15.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -90.33 -55.62 3.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.532 ' CD1' ' OG1' ' A' ' 83' ' ' THR . 59.4 m-85 -158.99 176.85 11.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 0.7 OUTLIER -95.38 152.01 18.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.797 -179.753 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.578 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 38.5 m-85 -153.64 140.7 19.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.941 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' MET . 28.0 tttm -130.16 124.02 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.476 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 53.7 mt -108.98 104.56 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.414 ' OD1' ' CG ' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -88.69 98.72 11.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.408 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 19.3 m-85 -53.26 -44.91 68.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.57 ' HB2' ' C ' ' A' ' 58' ' ' CYS . . . -59.07 -45.28 91.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -80.3 -6.62 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.1 mmt 48.92 51.64 15.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.414 ' CG ' ' OD1' ' A' ' 73' ' ' ASP . 8.0 ptpp? -161.51 163.24 30.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.442 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 42.8 tt0 -106.83 103.57 13.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 71' ' ' LYS . 28.7 tpp -79.4 122.49 26.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.551 ' C ' HD22 ' A' ' 82' ' ' LEU . 39.6 t-20 -86.26 143.99 27.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.761 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -112.86 -42.18 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.532 ' OG1' ' CD1' ' A' ' 68' ' ' PHE . 2.6 t -55.76 -44.67 77.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.198 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.7 p -111.17 -18.72 12.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.9 17.13 77.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.429 ' N ' ' HB3' ' A' ' 81' ' ' ASN . 27.0 mmmt -81.55 171.06 15.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.08 141.84 50.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.442 ' CG ' ' HB3' ' A' ' 79' ' ' GLN . 11.7 ptp180 -143.78 162.87 34.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -99.34 152.87 19.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.4 pt -127.76 175.39 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -161.45 146.12 13.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 52.3 ttp85 -116.79 110.92 19.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -144.2 154.91 58.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.568 0.699 . . . . 0.0 111.066 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 146.03 58.79 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.591 ' CE1' ' CE ' ' A' ' 33' ' ' MET . 19.5 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.462 ' O ' ' CD1' ' A' ' 20' ' ' TRP . 3.2 t . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.696 0.284 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 50.2 mt-30 -74.22 119.34 18.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.462 ' CD1' ' O ' ' A' ' 18' ' ' THR . 86.8 m95 -118.04 125.88 51.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -128.11 156.26 20.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.491 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 11.1 m95 -96.72 144.92 26.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.779 0.323 . . . . 0.0 110.916 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.538 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 37.0 m-85 -132.97 158.82 41.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.827 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 32' ' ' HIS . 27.2 p90 -145.94 123.77 11.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.426 HD13 ' CE2' ' A' ' 31' ' ' TRP . 25.6 tp -51.82 158.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.403 ' N ' ' HG ' ' A' ' 25' ' ' LEU . . . -134.96 158.13 45.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.072 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -55.03 -39.33 69.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 p -56.55 -32.15 64.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.47 -40.39 1.93 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.495 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -82.28 139.7 34.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.739 0.304 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.426 ' CE2' HD13 ' A' ' 25' ' ' LEU . 29.2 m95 -72.83 151.66 41.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 42.7 m-70 -119.61 124.5 46.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.538 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 6.7 ttt -73.95 122.98 23.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.491 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 42.2 m-85 -42.83 119.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.576 0.703 . . . . 0.0 110.876 -179.863 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.683 HG23 HD11 ' A' ' 49' ' ' ILE . 34.5 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.867 0.365 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.632 ' O ' HD12 ' A' ' 49' ' ' ILE . 24.7 m -84.12 162.0 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.6 p -45.71 -32.31 2.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -64.4 -50.35 67.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -53.39 -48.85 68.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.683 HD11 HG23 ' A' ' 44' ' ' VAL . 5.4 mp -66.43 -65.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -40.65 -39.48 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -63.12 -43.37 98.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.9 m -71.4 -48.43 49.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -43.17 -37.49 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -60.45 -62.26 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.6 m -47.94 -60.36 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.417 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 39.0 p-10 -125.26 86.58 56.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.727 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -15.25 36.9 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.528 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 36.3 t -118.07 35.2 4.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.58 -131.82 3.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.4 p -163.13 167.07 22.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.438 ' CG2' ' HB ' ' A' ' 72' ' ' ILE . 11.0 tt -128.38 118.9 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 96.5 p -102.02 140.26 36.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -165.89 177.43 7.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.2 p -141.64 150.33 41.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.185 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 49.4 p -130.26 -67.8 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 68' ' ' PHE . 75.1 m -117.13 96.25 5.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.484 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 0.3 OUTLIER 32.64 35.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.507 ' N ' ' O ' ' A' ' 66' ' ' SER . 21.2 m-85 -145.6 168.91 19.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.7 m -127.38 154.17 45.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -145.98 127.44 15.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.465 ' HB3' HD21 ' A' ' 82' ' ' LEU . 30.1 tttt -113.83 100.35 8.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.438 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 86.0 mt -89.36 106.75 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.136 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -85.8 133.76 33.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.433 ' CZ ' HG23 ' A' ' 49' ' ' ILE . 21.8 m-85 -91.13 -46.29 8.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.528 ' HB2' ' HA ' ' A' ' 58' ' ' CYS . . . -57.43 -39.51 76.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -83.47 -8.77 59.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.8 mmt 54.15 47.22 23.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -160.5 158.73 29.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -98.71 117.42 33.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 38.5 tpp -89.63 112.24 23.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.545 ' C ' HD22 ' A' ' 82' ' ' LEU . 15.9 t-20 -83.68 143.24 30.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.68 ' N ' HD22 ' A' ' 82' ' ' LEU . 1.6 mm? -115.15 -41.84 3.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.442 ' OG1' ' CD1' ' A' ' 68' ' ' PHE . 2.8 t -59.99 -44.36 94.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.4 p -107.43 -25.68 11.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.62 6.76 85.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.457 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -75.38 171.08 14.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -126.44 151.65 47.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 33.0 mtm180 -144.37 170.95 15.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -108.6 158.64 17.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.446 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 30.0 pt -143.09 145.75 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -148.35 154.66 40.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 20.1 ttp85 -115.88 101.29 8.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -128.06 154.51 78.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 152.15 69.19 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.641 2.228 . . . . 0.0 112.364 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 19' ' ' GLN . 20.5 p90 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.6 m . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.775 0.322 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -92.32 139.58 30.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -109.65 119.78 40.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.75 163.11 14.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.633 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 10.9 m95 -112.93 153.81 27.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.798 0.332 . . . . 0.0 110.921 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 22' ' ' TRP . 15.9 m-85 -145.49 156.46 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -137.76 142.54 40.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.431 ' HB2' ' CZ2' ' A' ' 31' ' ' TRP . 39.3 tp -72.07 136.08 46.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.71 158.99 16.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -57.27 -35.49 69.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -59.65 -30.11 68.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.29 -40.56 1.96 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.499 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -79.85 144.17 33.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.32 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.431 ' CZ2' ' HB2' ' A' ' 25' ' ' LEU . 25.5 m95 -84.05 138.7 32.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -119.12 123.23 43.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.4 ttt -52.75 154.53 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.811 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.528 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 20.2 m-85 -70.08 135.43 49.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.57 0.7 . . . . 0.0 110.931 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.821 HG23 HD11 ' A' ' 49' ' ' ILE . 26.7 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.879 0.371 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.745 ' O ' HD12 ' A' ' 49' ' ' ILE . 15.0 m -90.26 158.87 16.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.1 p -38.79 -43.82 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -54.97 -57.46 11.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -51.36 -51.91 50.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.821 HD11 HG23 ' A' ' 44' ' ' VAL . 5.0 mp -55.7 -62.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.486 ' OE2' ' CG ' ' A' ' 54' ' ' LYS . 13.9 tm-20 -48.81 -55.85 10.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -42.93 -41.96 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.2 m -72.35 -59.68 2.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -42.29 -28.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.486 ' CG ' ' OE2' ' A' ' 50' ' ' GLU . 35.3 mtmt -64.26 -62.93 1.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 56' ' ' ASN . 4.5 t -62.35 -44.46 96.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 23.3 p-10 -119.52 81.43 23.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -16.85 37.89 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.724 2.283 . . . . 0.0 112.339 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 68.4 m -125.53 36.75 4.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.99 -140.39 5.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.2 p -162.3 141.07 9.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.833 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 61' ' ' ILE . 11.5 tt -102.63 102.65 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 83.2 p -87.0 123.49 32.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 13.3 p90 -146.99 138.02 23.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.6 p -117.69 118.63 32.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.175 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.8 p -86.0 -174.8 5.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.187 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 68' ' ' PHE . 2.7 t -45.03 116.72 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' SER . 11.5 ptpt 38.0 28.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 66' ' ' SER . 4.7 m-85 -136.44 164.63 27.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.1 m -136.18 145.07 45.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.562 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 89.7 m-85 -154.28 133.54 12.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.519 ' HB3' HD21 ' A' ' 82' ' ' LEU . 20.5 tttp -127.98 108.8 10.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.452 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 92.0 mt -98.72 98.57 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -84.74 128.19 34.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -84.4 -46.42 11.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.33 -44.87 54.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -82.8 -2.69 55.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.6 mmt 47.27 47.46 16.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -153.75 161.5 42.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.461 ' NE2' ' OD1' ' A' ' 81' ' ' ASN . 15.6 tt0 -100.18 116.44 32.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.474 ' HA ' ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -92.37 106.52 18.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.563 ' C ' HD22 ' A' ' 82' ' ' LEU . 2.5 m120 -87.95 132.43 34.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.782 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.7 OUTLIER -109.17 -39.9 5.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.919 HG23 HG23 ' A' ' 84' ' ' THR . 5.5 t -44.94 -44.34 9.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.156 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.919 HG23 HG23 ' A' ' 83' ' ' THR . 6.8 p -112.96 -25.25 9.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.89 30.67 20.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -96.11 174.0 7.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.694 0.283 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -123.68 127.47 48.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -128.5 177.39 7.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.2 mt -119.59 166.4 13.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.633 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 26.7 pt -144.99 174.57 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -171.46 155.13 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.1 ttp85 -117.83 128.33 54.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.445 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -161.34 156.35 20.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 0.0 111.069 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.445 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 54.0 Cg_endo -69.73 161.69 44.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.258 . . . . 0.0 112.357 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.9 m . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.731 0.3 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -103.47 130.37 50.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -98.49 125.03 43.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.561 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -107.28 158.23 15.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.508 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.531 ' CZ2' ' HD3' ' A' ' 92' ' ' ARG . 12.5 m95 -110.32 160.75 16.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 22' ' ' TRP . 47.1 m-85 -156.09 159.15 38.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.446 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 14.5 p90 -144.94 124.84 13.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.9 tp -48.27 140.66 7.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -109.75 175.74 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -75.81 -17.62 59.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.3 m -78.23 0.56 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.9 -44.69 1.78 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -82.26 172.15 13.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.79 0.329 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -97.39 149.58 21.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -125.78 127.69 46.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.3 ttt -56.02 140.66 42.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CD2' ' HB3' ' A' ' 22' ' ' TRP . 16.6 m-85 -58.79 136.79 57.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.6 0.714 . . . . 0.0 110.919 -179.938 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.573 HG23 HD11 ' A' ' 49' ' ' ILE . 16.7 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.838 0.352 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.552 ' O ' HD12 ' A' ' 49' ' ' ILE . 14.1 m -81.98 157.22 24.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 45' ' ' SER . 31.1 p -35.23 -38.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -60.39 -57.52 12.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.61 -65.59 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.769 ' H ' HD12 ' A' ' 49' ' ' ILE . 5.1 mp -42.79 -56.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -54.41 -44.32 72.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -57.34 -30.28 64.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.0 t -76.15 -63.84 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 57' ' ' PRO . 7.4 t80 -45.83 -25.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -53.25 -51.14 63.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.411 ' CG2' ' N ' ' A' ' 56' ' ' ASN . 1.4 t -85.78 -39.04 17.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.436 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 22.9 p-10 -122.38 81.46 46.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.602 0.715 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 53' ' ' PHE . 54.1 Cg_endo -69.71 -21.05 34.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.236 . . . . 0.0 112.364 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.573 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 3.0 t -119.13 34.43 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -116.72 -133.29 5.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.5 p -164.4 147.55 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.868 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.533 HG23 ' O ' ' A' ' 61' ' ' ILE . 17.1 tt -114.82 115.34 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.6 p -100.09 115.22 29.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 70' ' ' TYR . 39.0 p90 -132.36 160.66 35.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.0 p -129.16 155.92 44.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 66' ' ' SER . 36.5 p -141.58 -175.01 4.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.096 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.484 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 58.0 m -33.39 99.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.587 ' HE2' ' CE1' ' A' ' 68' ' ' PHE . 2.1 pttm 37.11 48.73 0.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.587 ' CE1' ' HE2' ' A' ' 67' ' ' LYS . 18.2 m-85 -149.19 163.72 36.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.8 m -136.27 146.22 46.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 98.1 m-85 -152.25 137.55 17.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.3 tttt -129.79 106.44 8.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.61 HG23 HD13 ' A' ' 90' ' ' ILE . 91.1 mt -93.78 97.41 7.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -80.83 112.94 18.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -70.43 -48.96 53.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 58' ' ' CYS . . . -51.14 -35.67 36.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -95.09 -3.37 48.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.4 mmt 46.84 53.23 10.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -158.29 148.74 20.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -95.12 103.61 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 49.1 tpp -78.14 113.25 15.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.676 ' C ' HD22 ' A' ' 82' ' ' LEU . 21.6 t30 -85.96 140.51 30.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.785 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -114.57 -48.4 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.473 HG23 HG23 ' A' ' 84' ' ' THR . 1.4 t -39.82 -43.02 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.473 HG23 HG23 ' A' ' 83' ' ' THR . 23.2 p -116.57 -24.2 7.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.78 20.05 41.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -87.72 170.17 11.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 -122.74 154.32 38.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -155.07 161.12 41.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 89' ' ' LEU . 3.5 mm? -101.49 155.64 17.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.61 HD13 HG23 ' A' ' 72' ' ' ILE . 16.4 pt -131.42 158.63 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.465 ' CG ' ' HB2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -148.89 152.84 37.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.531 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 18.0 ttp85 -121.09 106.53 11.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -133.31 152.66 79.78 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.614 0.721 . . . . 0.0 111.089 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 145.94 58.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.561 ' CE1' ' HA3' ' A' ' 21' ' ' GLY . 28.1 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.1 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.755 0.312 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.409 ' CD ' ' HB2' ' A' ' 95' ' ' PHE . 28.6 pt20 -76.03 132.6 40.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -107.72 120.02 41.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -109.14 171.61 15.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.617 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 8.8 m95 -123.31 152.14 41.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.839 0.352 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 22' ' ' TRP . 15.8 m-85 -141.62 154.21 45.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.464 ' CD2' ' O ' ' A' ' 32' ' ' HIS . 45.1 p90 -137.11 124.55 22.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.7 tp -50.16 154.37 1.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . -118.61 146.66 44.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -50.37 -34.53 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 73.6 m -67.34 -26.34 66.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.38 -40.73 1.81 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.686 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -78.97 133.75 36.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.736 0.303 . . . . 0.0 110.936 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 22.2 m95 -74.35 149.02 40.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.464 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 35.3 m80 -128.24 127.3 42.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.404 ' HE1' ' CE2' ' A' ' 95' ' ' PHE . 7.2 ttp -62.32 142.91 57.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.588 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 60.1 m-85 -55.68 165.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.608 0.718 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.806 0.336 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.2 m -81.19 166.85 20.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.83 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 p -43.44 -35.18 1.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -68.68 -61.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.57 -42.15 7.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 19.0 mt -66.09 -63.7 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.422 ' HB2' ' CD1' ' A' ' 22' ' ' TRP . 13.0 tm-20 -40.36 -42.28 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -63.52 -52.0 63.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.1 t -55.11 -38.01 67.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -63.94 -40.13 95.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -52.2 -64.15 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.506 HG23 ' N ' ' A' ' 56' ' ' ASN . 7.3 t -62.92 -47.38 83.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.506 ' N ' HG23 ' A' ' 55' ' ' THR . 2.8 m120 -117.82 84.52 20.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.673 0.749 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -9.07 25.2 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.667 2.244 . . . . 0.0 112.337 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.5 p -122.67 -22.38 5.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.75 174.41 39.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.435 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.52 153.17 44.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 110.856 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.701 HG23 ' O ' ' A' ' 61' ' ' ILE . 17.2 tt -106.67 106.59 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.8 p -90.3 116.75 28.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 52.6 p90 -133.38 172.48 12.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.1 p -145.56 137.81 25.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.2 t -175.34 133.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.49 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 1.3 t 74.99 55.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.485 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 8.2 ptmt 34.62 34.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.49 ' CD2' ' O ' ' A' ' 66' ' ' SER . 31.7 m-85 -151.09 119.15 6.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.4 m -80.36 157.54 26.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.565 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 60.9 m-85 -153.82 136.71 15.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.496 ' HB3' HD21 ' A' ' 82' ' ' LEU . 31.2 tttt -126.89 126.39 43.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.4 mt -112.45 111.07 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -90.81 134.47 34.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -89.66 -47.1 8.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.62 -56.99 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -71.69 -4.33 26.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.431 ' C ' HG12 ' A' ' 90' ' ' ILE . 3.5 mmt 50.65 48.61 22.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -155.93 161.59 40.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -99.99 121.59 41.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.469 ' N ' ' O ' ' A' ' 71' ' ' LYS . 40.0 tpp -94.24 116.47 28.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.756 ' C ' HD22 ' A' ' 82' ' ' LEU . 2.5 m120 -87.63 145.22 26.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.756 HD22 ' C ' ' A' ' 81' ' ' ASN . 0.6 OUTLIER -115.22 -37.71 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.674 HG23 HG23 ' A' ' 84' ' ' THR . 5.1 t -61.1 -50.0 75.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.674 HG23 HG23 ' A' ' 83' ' ' THR . 31.0 p -108.62 -25.87 10.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.33 22.34 54.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -76.98 173.83 11.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.748 0.309 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -135.99 140.56 44.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -154.26 133.86 12.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.9 mp -70.39 165.99 21.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.617 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 20.1 pt -137.75 166.08 25.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.3 pttt -159.38 148.49 18.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.919 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.8 ttp85 -110.77 114.83 28.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -146.43 154.24 48.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.529 0.68 . . . . 0.0 111.102 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 145.02 55.99 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.345 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.409 ' HB2' ' CD ' ' A' ' 19' ' ' GLN . 24.3 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.761 0.315 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -86.26 130.44 34.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -93.03 120.86 33.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -108.06 168.54 13.86 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -120.77 129.36 53.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.755 0.312 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -123.46 147.47 47.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 32' ' ' HIS . 33.9 p90 -128.82 131.07 47.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.833 HD12 ' CE2' ' A' ' 31' ' ' TRP . 10.2 tt -72.52 123.63 23.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.589 ' O ' HD23 ' A' ' 25' ' ' LEU . . . -78.1 156.84 29.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.071 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -53.63 -35.67 61.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 m -65.74 -33.48 75.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.14 33.38 1.25 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -131.98 123.21 26.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.771 0.319 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.833 ' CE2' HD12 ' A' ' 25' ' ' LEU . 59.2 m95 -77.74 110.13 12.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.403 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 88.6 m-70 -108.11 128.94 55.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.841 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.0 ttt -57.66 154.3 11.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.474 ' CD1' HD11 ' A' ' 49' ' ' ILE . 16.8 m-85 -75.29 120.55 20.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.557 0.694 . . . . 0.0 110.912 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.836 0.35 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.3 m -84.52 160.07 20.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.7 p -44.01 -28.42 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 48' ' ' ASP . 31.9 tt0 -63.64 -70.36 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' GLU . 6.4 t0 -36.82 -57.94 0.78 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.474 HD11 ' CD1' ' A' ' 34' ' ' PHE . 20.1 mt -50.78 -62.4 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -45.91 -43.65 13.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -59.07 -47.24 85.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.9 m -65.43 -33.27 75.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 53' ' ' PHE . 5.1 t80 -74.86 -34.94 62.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -60.53 -55.86 28.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -54.02 -35.58 62.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.411 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 31.2 t30 -151.41 105.0 2.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.647 0.737 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 56' ' ' ASN . 54.0 Cg_endo -69.76 -18.09 37.19 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.337 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.533 ' C ' ' HB2' ' A' ' 75' ' ' ALA . 30.0 p -115.69 40.35 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.55 -152.28 9.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.533 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.5 p -155.53 143.19 19.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.705 HG23 ' O ' ' A' ' 61' ' ' ILE . 18.3 tt -108.19 100.8 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.2 p -85.49 118.48 25.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 12.0 p90 -145.79 134.25 21.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.5 p -116.0 128.72 55.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.2 p -97.98 -175.22 3.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 68' ' ' PHE . 13.8 t -42.65 119.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER 34.04 32.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.509 ' N ' ' O ' ' A' ' 66' ' ' SER . 5.4 m-85 -142.81 161.79 37.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 82' ' ' LEU . 12.0 m -135.49 147.36 48.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.574 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 92.8 m-85 -154.38 131.6 11.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.449 ' HB3' HD21 ' A' ' 82' ' ' LEU . 30.2 tttt -129.29 105.15 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.468 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 83.9 mt -92.34 97.32 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.6 116.4 18.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -74.51 -49.86 20.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.533 ' HB2' ' C ' ' A' ' 58' ' ' CYS . . . -47.25 -52.81 14.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.128 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -75.62 -6.07 48.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.415 ' C ' HG12 ' A' ' 90' ' ' ILE . 5.3 mmt 52.35 52.86 13.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.565 ' HB3' HD13 ' A' ' 89' ' ' LEU . 10.7 pttt -161.26 155.69 23.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 88' ' ' ARG . 24.5 tt0 -97.9 116.32 29.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 52.4 tpp -91.2 111.83 23.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.719 ' C ' HD22 ' A' ' 82' ' ' LEU . 16.4 t30 -82.51 140.33 33.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.72 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -115.88 -41.61 3.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.418 ' OG1' ' CE2' ' A' ' 68' ' ' PHE . 1.9 t -43.62 -42.38 5.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.189 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 63.1 p -118.85 -25.37 6.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.12 14.12 46.61 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -76.1 170.35 16.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.733 0.301 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -123.6 129.96 51.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 79' ' ' GLN . 65.9 mtt180 -132.69 158.55 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.565 HD13 ' HB3' ' A' ' 78' ' ' LYS . 3.8 mm? -105.48 161.25 14.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.415 HG12 ' C ' ' A' ' 77' ' ' MET . 7.6 pt -133.32 173.0 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -167.1 153.85 8.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -113.09 109.29 18.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -140.61 148.81 54.73 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.56 0.695 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 156.11 64.32 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.372 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.773 0.32 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -86.01 124.96 33.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -93.98 115.79 28.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.35 161.36 14.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.558 ' CZ2' ' HD3' ' A' ' 92' ' ' ARG . 18.9 m95 -109.82 147.19 33.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.803 0.335 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.5 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 26.7 m-85 -132.33 148.71 52.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.533 ' HB3' ' CE2' ' A' ' 34' ' ' PHE . 22.8 p90 -129.99 127.79 40.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.0 tp -62.71 154.48 29.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.16 163.68 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.414 ' C ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -52.66 -45.85 66.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 m -60.0 -31.55 70.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.61 41.25 1.04 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -132.81 138.05 46.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.758 0.313 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -82.87 113.79 20.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -102.95 116.15 31.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.5 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 25.3 ttt -52.66 113.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 24' ' ' TYR . 13.1 m-85 -34.73 127.5 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.658 0.742 . . . . 0.0 110.896 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.66 HG23 HD11 ' A' ' 49' ' ' ILE . 27.6 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.818 0.342 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.0 m -84.8 164.4 18.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.6 p -39.02 -43.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -42.47 -59.29 1.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.432 ' OD1' HD11 ' A' ' 61' ' ' ILE . 5.4 t70 -56.98 -61.85 2.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.66 HD11 HG23 ' A' ' 44' ' ' VAL . 4.5 mp -43.09 -40.22 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -70.19 -67.75 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -40.92 -36.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 t -69.82 -54.05 15.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.487 ' HA ' ' CE2' ' A' ' 74' ' ' PHE . 38.8 t80 -50.98 -44.23 60.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -50.13 -57.93 6.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.3 m -46.05 -46.22 16.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.402 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 30.2 t30 -147.09 105.05 3.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.634 0.731 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 56' ' ' ASN . 53.8 Cg_endo -69.77 -13.78 35.14 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.712 2.275 . . . . 0.0 112.347 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.6 p -121.39 41.06 3.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.25 -165.23 11.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.1 p -133.19 149.11 52.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.652 HG22 ' O ' ' A' ' 72' ' ' ILE . 7.8 tt -110.22 107.79 23.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.9 p -97.75 113.23 24.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 70' ' ' TYR . 17.7 p90 -133.46 151.65 51.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.7 p -123.53 126.16 46.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 66' ' ' SER . 2.1 p -87.19 -175.69 5.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.193 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 65' ' ' THR . 5.1 p -34.09 -71.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.489 ' HG3' ' CE2' ' A' ' 68' ' ' PHE . 12.9 ptpt -131.62 47.11 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.489 ' CE2' ' HG3' ' A' ' 67' ' ' LYS . 81.6 m-85 -159.01 161.74 36.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.5 m -128.19 153.0 47.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 97.1 m-85 -154.08 136.88 15.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.4 ttmt -122.88 107.36 11.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.652 ' O ' HG22 ' A' ' 61' ' ' ILE . 75.8 mt -102.94 103.01 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.08 131.67 34.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.487 ' CE2' ' HA ' ' A' ' 53' ' ' PHE . 30.5 m-85 -84.28 -47.17 11.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.22 -44.55 68.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -77.58 -9.65 59.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.6 mmt 53.32 46.35 26.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -162.04 150.15 14.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.443 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 31.4 tt0 -95.2 119.94 34.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 45.2 ttm -91.95 112.46 24.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.759 ' C ' HD22 ' A' ' 82' ' ' LEU . 24.3 t-20 -83.07 145.45 29.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.759 HD22 ' C ' ' A' ' 81' ' ' ASN . 0.9 OUTLIER -119.47 -44.33 2.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.443 HG22 ' OD1' ' A' ' 81' ' ' ASN . 1.9 t -54.18 -41.29 68.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.8 p -113.86 -24.54 9.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.89 14.18 65.36 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.493 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.485 ' N ' ' HB3' ' A' ' 81' ' ' ASN . 3.3 mmmm -73.53 173.81 9.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.727 0.299 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -142.02 137.25 30.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.443 ' CG ' ' HB3' ' A' ' 79' ' ' GLN . 14.0 ptp180 -148.92 166.75 27.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.7 mp -98.91 165.27 11.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.1 pt -139.1 144.39 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -136.27 153.11 51.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.558 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 26.1 ttp85 -119.8 112.25 19.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.669 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -148.27 163.38 26.86 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 111.077 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.669 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 53.3 Cg_endo -69.8 160.94 47.83 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.62 2.213 . . . . 0.0 112.311 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.0 m . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.742 0.306 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -90.27 121.65 32.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.445 ' HB3' ' NH1' ' A' ' 92' ' ' ARG . 90.1 m95 -88.32 124.28 33.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.07 157.11 15.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.535 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.555 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 14.4 m95 -104.88 136.38 44.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.479 ' CE2' ' SD ' ' A' ' 33' ' ' MET . 34.1 m-85 -129.58 168.12 16.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 34' ' ' PHE . 29.0 p90 -152.89 125.71 8.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.44 ' HG ' ' N ' ' A' ' 26' ' ' ALA . 40.4 tp -55.32 157.57 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.44 ' N ' ' HG ' ' A' ' 25' ' ' LEU . . . -116.47 162.41 17.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.079 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -50.1 -52.21 36.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.8 m -61.43 -31.74 71.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.417 ' HA2' HD11 ' A' ' 25' ' ' LEU . . . 115.89 43.13 0.69 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -135.35 117.56 15.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -69.7 121.64 17.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.48 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 26.0 m170 -113.55 118.31 34.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.498 ' HE3' ' CZ ' ' A' ' 95' ' ' PHE . 5.1 ttt -58.19 120.02 7.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.529 ' CG ' ' CD1' ' A' ' 49' ' ' ILE . 84.5 m-85 -40.04 146.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 0.0 110.936 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.837 0.351 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.29 149.47 26.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 76.8 p -42.13 -34.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -59.94 -45.68 91.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.407 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 33.8 t70 -62.06 -63.04 1.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.529 ' CD1' ' CG ' ' A' ' 34' ' ' PHE . 42.9 mt -45.85 -40.54 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 52' ' ' SER . 0.4 OUTLIER -73.28 -67.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -36.7 -29.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 50' ' ' GLU . 54.5 m -77.35 -67.52 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 2.1 t80 -42.53 -25.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.29 -66.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.492 HG23 ' N ' ' A' ' 56' ' ' ASN . 13.4 t -71.21 -43.94 66.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.492 ' N ' HG23 ' A' ' 55' ' ' THR . 18.6 p-10 -113.32 77.69 3.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -13.13 34.06 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.615 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 4.0 m -125.91 37.1 4.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.47 -133.71 4.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.4 p -168.56 164.17 12.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.363 . . . . 0.0 110.813 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.572 HG23 ' O ' ' A' ' 61' ' ' ILE . 15.5 tt -137.34 106.26 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.5 p -83.99 139.44 32.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -166.55 176.15 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.832 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.7 p -129.39 162.78 27.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.113 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 65.2 p -133.81 -73.27 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 11.3 m -124.31 89.08 3.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 66' ' ' SER . 0.0 OUTLIER 48.13 30.64 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.435 ' CD1' ' O ' ' A' ' 67' ' ' LYS . 21.0 m-85 -142.99 168.54 19.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 m -126.51 153.69 44.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -152.59 131.19 12.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -113.32 99.41 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 77.4 mt -81.02 102.3 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.32 119.93 29.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.417 ' CE1' ' CH2' ' A' ' 22' ' ' TRP . 23.2 m-85 -79.44 -43.57 23.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 58' ' ' CYS . . . -49.78 -30.11 9.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.061 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -103.73 -6.85 21.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.42 ' C ' HG12 ' A' ' 90' ' ' ILE . 76.8 mmm 55.14 50.31 15.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -161.09 156.5 24.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -95.12 145.82 24.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.5 tpp -107.42 121.89 45.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -96.42 105.8 17.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.688 ' N ' HD12 ' A' ' 82' ' ' LEU . 2.0 mp -93.19 -12.12 31.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.467 HG23 HG23 ' A' ' 84' ' ' THR . 5.5 t -81.13 -38.25 27.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.467 HG23 HG23 ' A' ' 83' ' ' THR . 74.2 p -115.94 -25.99 7.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.37 35.67 10.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -108.53 175.72 5.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.725 0.298 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -118.72 129.25 55.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 mtm-85 -123.7 144.37 49.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.0 mt -95.9 154.39 17.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.555 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 21.3 pt -132.5 145.98 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.1 pttm -134.06 145.65 49.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.488 ' HD2' ' NE1' ' A' ' 22' ' ' TRP . 6.0 ttt85 -120.1 107.34 12.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.765 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -141.84 165.68 26.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.533 0.682 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.765 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 53.2 Cg_endo -69.84 150.51 67.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.642 2.228 . . . . 0.0 112.312 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.498 ' CZ ' ' HE3' ' A' ' 33' ' ' MET . 12.3 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.3 m . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.743 0.306 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -88.79 118.91 28.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -86.57 119.42 26.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.575 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -102.4 174.16 23.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.787 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 24.1 m95 -123.56 144.91 49.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 110.922 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 25.1 m-85 -141.51 164.98 28.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.479 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 8.4 p90 -146.78 130.44 16.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.561 HD12 ' CZ2' ' A' ' 31' ' ' TRP . 2.9 tt -65.84 109.21 2.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.09 167.07 21.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.121 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 28' ' ' CYS . 7.7 pt-20 -64.3 -35.74 81.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 20.2 m -62.11 -30.23 70.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.72 -38.48 2.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.511 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -78.62 138.18 38.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.561 ' CZ2' HD12 ' A' ' 25' ' ' LEU . 28.2 m95 -77.6 127.85 33.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 46.5 m-70 -105.32 112.72 25.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.557 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 10.1 ttt -57.38 142.05 45.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.516 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 65.4 m-85 -60.2 135.42 57.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.566 0.698 . . . . 0.0 110.912 -179.913 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.589 HG23 HD11 ' A' ' 49' ' ' ILE . 34.4 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.817 0.342 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.675 ' O ' HD12 ' A' ' 49' ' ' ILE . 58.8 m -91.79 154.23 19.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 45' ' ' SER . 82.0 p -34.33 -41.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -57.33 -58.51 7.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.46 -52.69 7.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.734 ' H ' HD12 ' A' ' 49' ' ' ILE . 3.8 mp -66.42 -64.89 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -41.87 -33.16 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -61.41 -60.41 3.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.2 m -58.69 -40.98 85.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.464 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 25.1 t80 -61.34 -52.51 64.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -48.54 -60.22 2.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.434 HG23 ' N ' ' A' ' 56' ' ' ASN . 7.7 t -55.7 -42.94 75.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.434 ' N ' HG23 ' A' ' 55' ' ' THR . 53.8 t30 -137.47 105.04 8.44 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.627 0.727 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -20.19 34.87 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.669 2.246 . . . . 0.0 112.335 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.484 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 1.8 m -115.68 41.2 2.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.81 -167.13 13.05 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.545 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.2 p -138.18 169.42 17.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.1 tt -140.46 117.62 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.1 t -99.4 144.36 28.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.427 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 29.9 p90 -164.97 173.94 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.8 p -142.27 153.9 44.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 p -104.42 -74.96 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.7 t -126.49 -72.57 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -128.27 28.87 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -140.53 173.83 11.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.6 m -131.5 155.67 47.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.482 ' HA ' HD23 ' A' ' 82' ' ' LEU . 66.7 m-85 -151.85 130.98 12.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -121.39 117.44 26.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 92.7 mt -101.62 110.73 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -92.34 128.59 38.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.464 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 18.6 m-85 -85.59 -49.36 8.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.484 ' HB2' ' HA ' ' A' ' 58' ' ' CYS . . . -52.15 -36.2 50.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.071 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -86.41 -10.23 54.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 mmt 55.23 44.12 28.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -159.53 164.79 34.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -100.06 123.64 44.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.9 tpp -91.23 116.92 29.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.747 ' C ' HD22 ' A' ' 82' ' ' LEU . 2.5 t-20 -87.04 141.91 28.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.787 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.7 OUTLIER -120.55 -49.61 2.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.599 HG23 HG23 ' A' ' 84' ' ' THR . 2.9 t -52.8 -48.37 66.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.599 HG23 HG23 ' A' ' 83' ' ' THR . 32.5 p -104.99 -25.97 12.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.63 13.67 75.14 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.468 ' N ' ' HB3' ' A' ' 81' ' ' ASN . 4.6 mptt -76.12 175.28 9.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.738 0.304 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.63 141.2 52.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -146.72 155.6 42.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.39 157.39 17.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.787 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 42.1 pt -132.62 146.77 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -138.1 140.65 40.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.501 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 39.0 ttp85 -110.41 100.61 9.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -126.21 152.67 73.88 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.606 0.717 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 149.22 66.65 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.73 2.286 . . . . 0.0 112.291 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.575 ' CE1' ' HA3' ' A' ' 21' ' ' GLY . 31.8 m-85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.8 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.764 0.316 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -81.74 126.57 31.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -104.65 111.62 24.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.98 167.77 30.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.55 ' CH2' ' CD1' ' A' ' 74' ' ' PHE . 22.8 m95 -119.53 138.69 53.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.758 0.313 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.502 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 3.6 m-85 -130.06 151.92 50.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 34' ' ' PHE . 7.8 p90 -141.98 123.61 15.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.474 ' HB2' ' CE2' ' A' ' 31' ' ' TRP . 7.9 tp -51.14 134.04 27.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . -94.75 177.31 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -76.67 -41.49 45.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 t -59.36 -30.65 68.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.74 -41.29 1.51 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 14.9 mmtm -79.58 136.93 36.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.766 0.317 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.474 ' CE2' ' HB2' ' A' ' 25' ' ' LEU . 15.9 m95 -73.42 141.94 46.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.412 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 32.4 m170 -119.54 113.45 20.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.502 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 2.8 ttt -62.38 120.33 10.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 24' ' ' TYR . 96.0 m-85 -38.29 129.74 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.849 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.506 HG23 HD11 ' A' ' 49' ' ' ILE . 3.9 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.857 0.361 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.24 146.15 23.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.9 p -42.12 -28.24 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -74.95 -51.45 13.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -45.79 -63.33 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.506 HD11 HG23 ' A' ' 44' ' ' VAL . 19.5 mt -49.37 -52.93 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.455 ' C ' ' OE1' ' A' ' 50' ' ' GLU . 2.2 tm-20 -51.94 -61.34 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -39.12 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.689 ' HB2' HD12 ' A' ' 61' ' ' ILE . 8.0 t -77.92 -48.11 17.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.443 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 7.3 t80 -59.1 -24.69 63.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -53.75 -61.61 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -78.48 -31.63 47.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -116.41 74.95 6.23 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -23.78 30.59 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.71 2.274 . . . . 0.0 112.333 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.494 ' C ' ' HB2' ' A' ' 75' ' ' ALA . 30.8 p -127.25 36.78 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.27 -142.88 6.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 p -151.83 139.61 19.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.689 HD12 ' HB2' ' A' ' 52' ' ' SER . 5.7 tt -104.51 117.59 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 90.5 p -93.95 124.32 37.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.539 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 10.6 p90 -146.6 133.0 19.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 69' ' ' SER . 40.7 p -118.4 136.14 53.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.185 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 t -155.01 133.34 11.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.478 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 1.4 t 69.46 53.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 66' ' ' SER . 7.4 ptpp? 46.26 29.93 0.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -122.82 172.1 8.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.409 ' HA ' HG22 ' A' ' 64' ' ' THR . 6.2 p -134.75 129.81 35.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.809 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.539 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 68.4 m-85 -138.66 138.97 38.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.608 ' HB3' HD21 ' A' ' 82' ' ' LEU . 25.5 ttpt -133.86 114.72 13.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 74.3 mt -96.14 115.13 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.36 114.3 25.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.55 ' CD1' ' CH2' ' A' ' 22' ' ' TRP . 20.4 m-85 -81.54 -45.61 15.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.494 ' HB2' ' C ' ' A' ' 58' ' ' CYS . . . -51.88 -42.18 62.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.061 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -88.91 1.09 55.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.7 mmt 49.29 52.15 14.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -160.76 159.48 30.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.502 ' NE2' ' OD1' ' A' ' 81' ' ' ASN . 6.7 tm0? -100.91 121.05 41.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 71' ' ' LYS . 25.1 ttm -97.87 112.98 24.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.502 ' OD1' ' NE2' ' A' ' 79' ' ' GLN . 15.3 m-20 -89.14 140.51 29.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.713 ' N ' HD22 ' A' ' 82' ' ' LEU . 1.3 mm? -112.97 -23.37 10.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.531 HG23 HG22 ' A' ' 84' ' ' THR . 9.2 t -65.8 -40.22 91.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.531 HG22 HG23 ' A' ' 83' ' ' THR . 1.7 t -124.79 -20.57 4.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.54 16.27 66.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' H ' HG23 ' A' ' 84' ' ' THR . 6.9 mmmm -73.16 146.46 45.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.704 0.288 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -101.13 131.54 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -134.27 178.9 6.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.9 mt -125.35 154.13 42.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.455 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 10.6 pt -132.15 175.32 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -167.44 145.31 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.533 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 1.4 tpt180 -106.08 123.71 48.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -161.61 151.28 13.84 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.559 0.695 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 150.48 68.41 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.339 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.415 ' O ' ' CD1' ' A' ' 20' ' ' TRP . 48.6 m . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.726 0.298 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -72.76 112.39 8.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.415 ' CD1' ' O ' ' A' ' 18' ' ' THR . 56.9 m95 -88.14 132.12 34.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.65 157.46 17.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.848 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 20.6 m95 -107.21 133.23 52.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.762 0.315 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.555 ' CD2' ' HB2' ' A' ' 33' ' ' MET . 4.9 m-85 -133.33 157.85 44.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 32' ' ' HIS . 30.1 p90 -144.1 123.77 13.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 26' ' ' ALA . 61.8 tp -46.72 165.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.466 ' N ' ' HG ' ' A' ' 25' ' ' LEU . . . -129.66 177.98 6.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -66.27 -58.3 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.6 t -56.05 -32.77 64.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.15 38.27 0.75 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -130.88 121.46 25.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.774 0.321 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -69.97 116.23 10.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 35.6 m170 -95.53 129.3 42.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.555 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 11.4 ttt -83.31 118.07 23.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.649 ' CD2' ' CD1' ' A' ' 49' ' ' ILE . 92.3 m-85 -37.84 148.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.647 0.737 . . . . 0.0 110.861 -179.904 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.1 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.86 0.362 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -86.77 151.4 23.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.8 p -42.09 -40.05 2.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -63.71 -53.15 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -43.66 -67.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.649 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 24.1 mt -41.99 -55.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -51.6 -49.17 62.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -46.15 -39.63 9.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.3 m -66.61 -67.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.502 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 3.0 t80 -44.09 -38.37 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -45.89 -52.21 11.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.9 t -83.4 -40.35 19.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.159 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 31.8 p-10 -123.32 82.4 52.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.496 ' HB3' ' CE1' ' A' ' 53' ' ' PHE . 53.7 Cg_endo -69.77 -8.78 24.47 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.666 2.244 . . . . 0.0 112.38 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.7 p -125.51 37.9 4.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.02 -158.13 9.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.487 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.1 p -145.26 170.21 16.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.542 HG23 ' O ' ' A' ' 61' ' ' ILE . 17.3 tt -145.53 113.59 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.1 p -93.49 130.42 39.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -155.5 170.96 20.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.5 p -132.4 170.05 15.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.1 p -121.29 -58.48 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.1 t -132.34 -73.29 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -124.94 -17.38 5.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -100.35 165.53 11.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.7 m -121.08 161.96 20.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.519 ' HA ' HD23 ' A' ' 82' ' ' LEU . 85.7 m-85 -150.96 134.5 16.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -118.4 122.97 44.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 91.1 mt -105.96 99.22 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -93.21 103.45 15.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -57.68 -49.55 76.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.37 -42.5 31.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -81.31 -18.73 44.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.428 ' C ' HG12 ' A' ' 90' ' ' ILE . 7.1 mmt 61.76 43.63 9.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -162.46 157.24 22.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -97.24 113.88 25.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.479 ' HA ' ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -83.02 118.36 23.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.638 ' C ' HD22 ' A' ' 82' ' ' LEU . 2.4 m120 -81.11 143.38 32.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.718 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -111.3 -29.91 7.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.613 HG23 ' N ' ' A' ' 84' ' ' THR . 8.2 t -73.59 -53.34 10.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.613 ' N ' HG23 ' A' ' 83' ' ' THR . 69.7 p -104.33 -22.78 13.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 81.58 20.67 63.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.487 ' N ' ' HB2' ' A' ' 81' ' ' ASN . 16.7 mtmm -75.02 174.29 9.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.728 0.299 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -134.07 140.04 46.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 68.0 mtm-85 -147.52 128.88 14.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.97 141.51 44.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.848 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 30.3 pt -109.95 176.83 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -165.85 151.98 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.51 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 5.8 ttp-105 -124.33 102.51 7.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.703 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -128.44 163.61 43.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.592 0.71 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.703 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 54.2 Cg_endo -69.72 144.43 54.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.77 0.319 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -73.06 147.01 45.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -107.28 126.02 51.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -109.64 169.23 13.58 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.672 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 26.9 m95 -119.16 132.74 56.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.76 0.314 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -133.35 143.1 48.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 34' ' ' PHE . 36.1 p90 -117.6 129.52 55.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.645 HD13 ' CE2' ' A' ' 31' ' ' TRP . 45.8 tp -56.66 145.38 28.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.74 173.57 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -76.44 -39.73 52.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.9 t -56.92 -31.91 65.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.75 -40.34 1.86 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -78.63 143.33 36.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.645 ' CE2' HD13 ' A' ' 25' ' ' LEU . 44.2 m95 -83.99 149.19 26.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -131.69 124.13 29.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.556 ' HE1' ' CZ ' ' A' ' 95' ' ' PHE . 7.3 ttm -56.64 160.39 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.538 ' HE2' HD11 ' A' ' 72' ' ' ILE . 45.9 m-85 -77.52 112.18 14.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 34' ' ' PHE . 2.7 mp0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.793 0.33 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 46' ' ' SER . 33.0 m -137.13 167.39 21.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' SER . 87.0 p -37.21 -37.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.857 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -69.65 -55.69 9.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.03 -61.23 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.465 HD13 ' CD2' ' A' ' 34' ' ' PHE . 19.3 mt -48.77 -49.94 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -52.53 -52.11 56.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -49.29 -43.06 42.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.0 t -63.01 -41.34 99.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.446 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 35.7 t80 -61.59 -41.47 97.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -52.62 -63.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.3 t -68.94 -30.43 68.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -126.81 81.43 69.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -30.23 22.75 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.717 2.278 . . . . 0.0 112.366 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.455 ' CA ' ' HB2' ' A' ' 75' ' ' ALA . 79.4 m -122.95 45.16 2.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.99 -135.84 5.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.9 p -168.1 145.85 4.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.349 . . . . 0.0 110.826 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.531 HG23 ' O ' ' A' ' 61' ' ' ILE . 16.5 tt -119.81 118.08 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.0 p -103.01 97.65 7.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.437 ' HE2' HD12 ' A' ' 72' ' ' ILE . 51.1 p90 -119.28 162.04 19.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.722 HG22 ' HA ' ' A' ' 69' ' ' SER . 78.3 p -141.82 133.38 26.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 67' ' ' LYS . 77.1 p -104.38 52.01 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 t 39.94 25.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.601 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 23.1 ttpt -134.63 -51.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 67' ' ' LYS . 39.9 m-85 -158.56 137.56 11.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.722 ' HA ' HG22 ' A' ' 64' ' ' THR . 16.1 m -77.59 132.39 38.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -129.9 143.11 50.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -129.27 101.74 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.538 HD11 ' HE2' ' A' ' 34' ' ' PHE . 65.1 mt -92.32 113.41 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -97.07 100.5 11.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.446 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 24.7 m-85 -56.36 -43.32 79.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.455 ' HB2' ' CA ' ' A' ' 58' ' ' CYS . . . -54.11 -45.18 71.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.078 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -78.96 -13.44 59.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.434 ' C ' HG12 ' A' ' 90' ' ' ILE . 1.4 mmt 61.66 41.77 11.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.48 163.63 27.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -95.46 159.06 15.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 60.2 ttm -135.75 110.52 8.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -83.37 142.36 31.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.623 ' N ' HD22 ' A' ' 82' ' ' LEU . 2.1 mm? -108.45 -21.39 12.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.95 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.593 HG23 HG23 ' A' ' 84' ' ' THR . 6.3 t -76.8 -45.32 29.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.593 HG23 HG23 ' A' ' 83' ' ' THR . 70.8 p -110.39 -26.01 9.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.26 28.45 27.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -95.23 148.63 22.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.705 0.288 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -119.51 117.52 28.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -118.02 122.08 42.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.2 tp -50.01 165.79 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.672 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 38.3 pt -140.18 143.35 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.496 ' HD3' ' CD2' ' A' ' 31' ' ' TRP . 10.1 ptmm? -132.72 147.26 52.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.487 ' HD2' ' NE1' ' A' ' 22' ' ' TRP . 5.7 ttt-85 -117.88 103.88 10.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.62 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -128.25 161.4 56.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.573 0.702 . . . . 0.0 111.094 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.62 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 54.2 Cg_endo -69.81 153.73 68.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.703 2.269 . . . . 0.0 112.338 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.556 ' CZ ' ' HE1' ' A' ' 33' ' ' MET . 11.1 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 85.9 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.704 0.288 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -88.67 131.4 35.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -101.16 124.16 46.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.88 162.68 12.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.447 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.796 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 12.9 m95 -106.55 145.65 31.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.423 ' CE2' ' HG3' ' A' ' 33' ' ' MET . 72.1 m-85 -140.9 155.37 46.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' A' ' 32' ' ' HIS . 24.7 p90 -137.27 125.34 22.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.479 HD13 ' CE2' ' A' ' 31' ' ' TRP . 15.4 tp -55.45 145.98 21.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.03 167.57 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.078 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -64.22 -40.72 96.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.2 t -57.62 -32.33 67.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.78 -38.8 2.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -79.42 136.12 36.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.479 ' CE2' HD13 ' A' ' 25' ' ' LEU . 36.9 m95 -72.56 143.7 48.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.466 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 39.9 m-70 -119.8 127.74 53.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.423 ' HG3' ' CE2' ' A' ' 23' ' ' PHE . 5.3 ttt -64.48 146.61 54.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 51.6 m-85 -66.04 156.19 34.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.534 0.683 . . . . 0.0 110.938 -179.909 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.587 HG23 HD11 ' A' ' 49' ' ' ILE . 20.3 m . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.894 0.378 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -80.06 160.96 25.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.0 p -45.43 -37.35 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -53.51 -70.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -42.41 -62.36 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.587 HD11 HG23 ' A' ' 44' ' ' VAL . 17.7 mt -47.48 -60.19 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -47.98 -48.24 32.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -52.15 -47.1 65.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.1 m -68.17 -35.06 77.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.418 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 44.2 t80 -63.72 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -61.67 -64.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.6 t -63.92 -36.62 84.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -123.75 76.79 56.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.73 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -28.84 24.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.643 2.229 . . . . 0.0 112.385 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.868 ' C ' ' HB2' ' A' ' 75' ' ' ALA . 28.2 p -116.88 34.41 5.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.93 -137.4 5.58 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.431 ' CB ' ' HA ' ' A' ' 73' ' ' ASP . 23.8 p -161.65 147.14 13.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 110.871 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.514 HG23 ' O ' ' A' ' 61' ' ' ILE . 11.1 tt -115.08 107.91 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.5 p -89.34 121.4 31.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 7.1 p90 -144.12 134.66 24.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.2 p -113.39 116.68 30.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 67' ' ' LYS . 64.6 p -88.33 139.7 30.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.7 t -40.11 -25.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 65' ' ' THR . 32.8 ttmt -84.35 -58.21 2.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.433 ' CD2' ' HG2' ' A' ' 67' ' ' LYS . 30.7 m-85 -149.36 176.32 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.9 m -102.95 150.51 23.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.584 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 81.8 m-85 -154.5 142.81 20.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -134.25 100.21 4.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.6 mt -85.32 108.52 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.431 ' HA ' ' CB ' ' A' ' 60' ' ' SER . 2.7 m-20 -92.01 97.14 10.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.418 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 23.8 m-85 -53.92 -48.07 70.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.868 ' HB2' ' C ' ' A' ' 58' ' ' CYS . . . -49.78 -41.32 44.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -83.46 -16.28 46.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.428 ' C ' HG12 ' A' ' 90' ' ' ILE . 5.1 mmt 62.48 44.71 6.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.8 162.93 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.472 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 15.3 tt0 -95.02 132.07 40.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.0 tpp -93.98 94.16 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.477 ' CG ' ' HG1' ' A' ' 84' ' ' THR . 5.9 t-20 -74.67 113.28 11.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 mt -99.22 -39.83 8.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.656 HG23 HG23 ' A' ' 84' ' ' THR . 3.9 t -57.71 -39.32 76.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.656 HG23 HG23 ' A' ' 83' ' ' THR . 53.0 p -108.26 -25.94 10.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.99 17.18 67.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.421 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -94.37 175.3 6.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.721 0.296 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -130.06 149.04 51.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.472 ' CG ' ' HB3' ' A' ' 79' ' ' GLN . 19.3 ptp180 -153.74 145.5 23.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -83.78 155.79 22.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.796 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 39.7 pt -126.4 174.7 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -164.49 148.92 9.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.53 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 18.1 ttp85 -117.52 101.64 8.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.575 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -130.12 159.93 67.87 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.722 . . . . 0.0 111.068 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 54.1 Cg_endo -69.76 154.59 67.57 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.647 2.232 . . . . 0.0 112.359 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.3 m . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.692 0.282 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.565 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 15.6 mm-40 -75.92 145.05 40.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.645 ' C ' ' CE1' ' A' ' 95' ' ' PHE . 94.0 m95 -107.98 124.03 49.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.653 ' CA ' ' CZ ' ' A' ' 95' ' ' PHE . . . -113.85 152.13 18.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.517 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.765 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 14.9 m95 -105.32 133.86 49.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.814 0.34 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.45 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 27.8 m-85 -134.7 136.13 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -115.75 141.42 48.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.533 HD11 ' HA2' ' A' ' 29' ' ' GLY . 32.5 tp -66.89 158.69 30.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' N ' ' HG ' ' A' ' 25' ' ' LEU . . . -120.03 -177.18 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.65 -36.47 73.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 t -84.27 26.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.533 ' HA2' HD11 ' A' ' 25' ' ' LEU . . . 56.53 38.82 82.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -126.88 127.09 44.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CE3' ' HG2' ' A' ' 91' ' ' LYS . 60.2 m95 -83.68 123.84 30.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -104.65 149.49 25.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.45 ' HA ' ' CD2' ' A' ' 23' ' ' PHE . 18.7 ttt -75.63 127.53 33.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.493 ' HD2' HD13 ' A' ' 49' ' ' ILE . 4.5 m-85 -47.06 133.24 11.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 34' ' ' PHE . 62.3 mm-40 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.556 0.693 . . . . 0.0 110.939 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.8 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.843 0.354 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.598 ' O ' HD12 ' A' ' 49' ' ' ILE . 62.6 m -138.18 163.04 32.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 45' ' ' SER . 53.6 p -33.32 -35.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 45' ' ' SER . 14.1 tt0 -71.7 -59.49 2.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -38.96 -49.84 1.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.609 ' H ' HD12 ' A' ' 49' ' ' ILE . 5.3 mp -62.52 -64.83 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' ILE . 38.7 tt0 -37.52 -45.77 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -61.55 -44.38 97.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 49' ' ' ILE . 66.1 m -67.6 -34.4 76.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.487 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 78.6 t80 -71.58 -37.3 71.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -61.76 -59.4 5.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.1 t -61.11 -39.01 88.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -133.08 96.14 17.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.641 0.734 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -19.54 36.1 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 81.7 m -124.1 40.71 3.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.64 165.31 16.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.8 p -111.57 150.98 29.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.349 . . . . 0.0 110.905 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.538 HG23 ' O ' ' A' ' 61' ' ' ILE . 12.0 tt -119.8 103.74 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.2 p -85.02 119.71 25.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 7.3 p90 -145.15 136.7 25.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.1 p -110.53 117.68 34.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.16 -174.56 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 m -64.66 99.82 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.611 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 14.5 tptm 67.34 31.49 6.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.611 ' CD1' ' O ' ' A' ' 67' ' ' LYS . 25.1 m-85 -157.84 157.22 32.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.17 148.75 49.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.582 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 84.5 m-85 -154.51 139.0 16.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 80' ' ' MET . 4.2 ttmt -126.67 126.88 44.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.551 HD11 ' NE2' ' A' ' 79' ' ' GLN . 78.8 mt -117.85 113.08 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.19 118.87 37.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.487 ' CE1' ' HB2' ' A' ' 53' ' ' PHE . 29.4 m-85 -68.92 -53.2 22.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.59 -37.29 39.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -83.49 -15.94 47.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.8 mmt 55.56 45.01 25.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -159.44 149.85 19.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.551 ' NE2' HD11 ' A' ' 72' ' ' ILE . 33.6 tt0 -95.68 109.9 22.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 71' ' ' LYS . 35.0 tpp -85.95 112.2 20.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.609 ' C ' HD22 ' A' ' 82' ' ' LEU . 23.6 t-20 -83.45 144.93 29.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.699 ' N ' HD22 ' A' ' 82' ' ' LEU . 1.5 mm? -115.37 -41.56 3.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.8 t -47.63 -46.98 29.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.6 p -115.69 -25.08 7.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 89.89 26.95 22.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.446 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.0 mmtm -84.91 173.75 10.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.687 0.279 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -137.51 141.79 41.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -155.95 130.53 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.6 mt -63.71 161.53 14.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.765 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 45.6 pt -136.35 149.72 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.568 ' HG2' ' CE3' ' A' ' 31' ' ' TRP . 13.2 pttp -143.65 155.35 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 66.6 ttp85 -120.99 103.1 8.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -125.03 152.61 70.71 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.567 0.699 . . . . 0.0 111.077 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 141.94 46.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.374 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.653 ' CZ ' ' CA ' ' A' ' 21' ' ' GLY . 6.9 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.1 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.732 0.301 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -79.4 126.38 30.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -101.32 116.92 33.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -98.11 151.57 19.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.52 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.833 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 9.9 m95 -107.77 140.11 41.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.769 0.319 . . . . 0.0 110.932 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.402 ' HB2' ' CG ' ' A' ' 91' ' ' LYS . 31.2 m-85 -141.45 150.74 42.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.598 ' CE1' ' NH1' ' A' ' 88' ' ' ARG . 28.0 p90 -137.89 147.58 44.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 31' ' ' TRP . 9.5 tp -75.99 116.33 16.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.71 163.97 19.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -59.38 -39.67 84.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 91.2 m -58.6 -30.74 67.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.95 -39.08 2.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.418 ' HD3' ' N ' ' A' ' 31' ' ' TRP . 3.4 tmtt? -79.78 128.41 33.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.505 ' CE2' ' HB2' ' A' ' 25' ' ' LEU . 24.3 m95 -67.36 132.9 48.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -100.68 129.77 46.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.1 ttt -67.16 128.03 34.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.495 ' HE2' HD13 ' A' ' 72' ' ' ILE . 6.4 m-85 -48.86 121.35 4.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.703 HG23 HD11 ' A' ' 49' ' ' ILE . 35.7 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.84 0.352 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.641 ' O ' HD12 ' A' ' 49' ' ' ILE . 8.1 m -111.45 157.58 20.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.793 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 45' ' ' SER . 65.9 p -34.77 -36.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.848 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 45' ' ' SER . 2.8 tp10 -68.71 -62.66 1.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -39.2 -48.21 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.703 HD11 HG23 ' A' ' 44' ' ' VAL . 5.2 mp -62.18 -69.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.456 ' OE2' ' CG ' ' A' ' 54' ' ' LYS . 14.8 tm-20 -38.41 -33.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -68.91 -47.46 65.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' ILE . 22.8 t -68.3 -40.77 81.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 5.0 t80 -71.51 -30.17 65.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.456 ' CG ' ' OE2' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -53.44 -51.89 61.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.9 t -81.2 -30.78 34.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -133.01 87.48 39.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.615 0.722 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.436 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . 53.4 Cg_endo -69.71 -13.99 35.59 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.688 2.259 . . . . 0.0 112.354 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.541 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 96.3 m -122.08 33.33 5.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -105.72 -132.87 7.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.5 p -173.85 172.92 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.828 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.567 HD11 HG11 ' A' ' 44' ' ' VAL . 13.6 tt -152.63 106.84 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.2 t -93.87 135.38 35.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.414 ' CZ ' HG22 ' A' ' 44' ' ' VAL . 54.9 p90 -160.56 175.38 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 66.1 p -143.8 164.08 31.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.8 p -110.09 -69.94 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.2 p -127.68 -68.1 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -123.93 -18.39 5.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.527 ' CD2' ' OG1' ' A' ' 83' ' ' THR . 3.3 m-85 -99.73 153.66 18.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.436 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 18.2 m -115.71 161.82 18.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.835 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.436 ' CD1' ' O ' ' A' ' 69' ' ' SER . 52.2 m-85 -154.02 133.67 12.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.942 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -127.64 110.43 12.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.495 HD13 ' HE2' ' A' ' 34' ' ' PHE . 86.1 mt -88.82 99.23 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.76 117.57 23.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.654 ' CZ ' HG23 ' A' ' 49' ' ' ILE . 23.6 m-85 -78.8 -45.7 20.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 58' ' ' CYS . . . -50.1 -33.17 17.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -97.33 -6.35 34.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.414 ' C ' HG12 ' A' ' 90' ' ' ILE . 76.5 mmm 54.82 49.24 18.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.29 161.63 27.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.91 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.476 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 19.9 tm0? -95.52 109.24 21.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -78.9 113.45 17.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.648 ' C ' HD22 ' A' ' 82' ' ' LEU . 10.8 t-20 -84.87 146.25 27.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.742 ' N ' HD22 ' A' ' 82' ' ' LEU . 1.0 OUTLIER -115.56 -26.23 7.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.767 HG23 HG22 ' A' ' 84' ' ' THR . 7.4 t -68.43 -42.82 78.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.767 HG22 HG23 ' A' ' 83' ' ' THR . 0.6 OUTLIER -124.79 -21.77 4.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 85.06 13.51 71.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.424 ' H ' HG23 ' A' ' 84' ' ' THR . 5.5 mmmm -75.4 127.89 34.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.706 0.289 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -89.44 147.6 23.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.598 ' NH1' ' CE1' ' A' ' 24' ' ' TYR . 4.3 ptp180 -148.31 130.04 15.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 45.2 mt -66.64 147.17 53.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.833 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 28.8 pt -123.62 170.47 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.402 ' CG ' ' HB2' ' A' ' 23' ' ' PHE . 4.8 ptmm? -153.26 155.55 36.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.531 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 37.0 ttp85 -131.19 97.12 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -128.37 151.84 77.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.6 0.714 . . . . 0.0 111.078 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 161.63 45.16 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.41 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.567 ' CE1' ' HA3' ' A' ' 21' ' ' GLY . 23.1 m-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.4 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.702 0.287 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -76.04 119.26 19.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -90.22 127.78 36.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -115.83 163.68 12.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.541 ' CD1' ' HB2' ' A' ' 50' ' ' GLU . 11.0 m95 -112.62 158.47 19.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.583 ' CE2' ' HG3' ' A' ' 33' ' ' MET . 32.9 m-85 -148.58 163.18 38.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -144.22 133.92 23.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.718 HD13 ' CE2' ' A' ' 31' ' ' TRP . 19.6 tp -59.77 160.07 7.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.63 -179.02 4.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -69.84 -29.66 66.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 67.2 m -90.69 26.24 2.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.11 37.71 64.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -126.14 127.12 45.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.718 ' CE2' HD13 ' A' ' 25' ' ' LEU . 62.0 m95 -84.39 109.17 17.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -87.39 161.31 17.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.583 ' HG3' ' CE2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -88.79 141.13 28.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.4 ' CD2' ' HB3' ' A' ' 22' ' ' TRP . 9.3 m-85 -67.61 142.06 56.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.587 0.708 . . . . 0.0 110.909 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.831 HG23 HD11 ' A' ' 49' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.824 0.345 . . . . 0.0 111.133 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.571 ' O ' HD12 ' A' ' 49' ' ' ILE . 42.6 m -82.93 155.76 23.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.0 p -39.27 -51.44 2.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -43.82 -52.37 6.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.17 -70.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.831 HD11 HG23 ' A' ' 44' ' ' VAL . 5.3 mp -39.76 -46.45 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.541 ' HB2' ' CD1' ' A' ' 22' ' ' TRP . 37.1 tt0 -63.33 -50.85 68.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -52.75 -29.7 28.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.429 ' CB ' HD12 ' A' ' 61' ' ' ILE . 41.6 t -83.82 -30.8 26.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -71.91 -38.81 69.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -50.79 -55.13 18.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.0 t -72.64 -39.78 66.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.153 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -116.36 78.8 8.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.652 0.739 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -29.25 23.93 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.647 2.231 . . . . 0.0 112.37 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.631 ' C ' ' HB2' ' A' ' 75' ' ' ALA . 84.2 m -119.87 38.5 3.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.22 -132.79 3.95 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.513 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.6 p -168.72 145.44 3.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 61' ' ' ILE . 14.4 tt -108.08 118.7 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.6 t -99.47 130.97 45.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 6.5 p90 -154.34 141.86 19.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.8 p -118.4 116.83 27.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' PHE . 77.3 p -90.17 -178.11 5.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.42 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 31.7 t -50.11 119.71 3.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 68' ' ' PHE . 7.5 ptpp? 38.04 38.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' THR . 46.0 m-85 -158.97 141.33 13.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.9 m -125.95 149.91 48.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.586 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 98.6 m-85 -152.08 167.61 27.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -155.0 105.01 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.521 HG23 HD13 ' A' ' 90' ' ' ILE . 36.2 mt -89.42 108.16 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.96 118.25 26.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -80.35 -44.98 18.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.631 ' HB2' ' C ' ' A' ' 58' ' ' CYS . . . -55.77 -39.28 71.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -86.79 -13.37 45.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.7 mmt 60.23 46.97 9.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -158.9 153.82 24.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.487 ' OE1' ' N ' ' A' ' 80' ' ' MET . 2.7 tp60 -95.23 132.55 40.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.487 ' N ' ' OE1' ' A' ' 79' ' ' GLN . 25.1 tpp -97.91 111.34 23.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -86.91 101.47 13.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.8 mt -86.61 -40.07 15.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.0 t -41.58 -43.0 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 69.6 p -116.8 -25.35 7.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.77 33.7 6.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -102.67 173.6 6.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.737 0.303 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -119.44 123.67 44.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 79' ' ' GLN . 35.6 mmt-85 -125.8 158.3 35.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 mp -101.72 167.84 9.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.521 HD13 HG23 ' A' ' 72' ' ' ILE . 20.7 pt -145.04 170.15 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -170.3 151.68 3.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.515 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 34.6 ttp85 -108.88 120.46 42.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -151.8 152.07 29.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 111.081 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 144.52 54.58 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.95 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.3 m . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.711 0.291 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -83.26 126.17 32.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -90.12 108.37 19.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.34 159.37 21.85 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.657 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 12.3 m95 -111.78 141.68 45.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.733 0.302 . . . . 0.0 110.982 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 9.6 m-85 -130.04 168.5 16.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.452 ' HB3' ' CE1' ' A' ' 34' ' ' PHE . 30.3 p90 -155.52 126.72 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.952 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.703 HD12 ' NE1' ' A' ' 31' ' ' TRP . 9.6 tt -72.72 134.11 44.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.78 179.11 4.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -64.82 -19.87 66.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.5 p -87.96 25.26 1.59 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.82 34.69 5.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -131.34 118.19 19.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.332 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.703 ' NE1' HD12 ' A' ' 25' ' ' LEU . 44.5 m95 -74.88 106.75 6.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -91.61 115.86 28.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.551 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 6.8 ttt -58.84 115.98 3.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 24' ' ' TYR . 30.0 m-85 -34.84 144.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.565 0.698 . . . . 0.0 110.954 -179.944 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.1 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.832 0.348 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.584 ' O ' HD12 ' A' ' 49' ' ' ILE . 18.7 m -123.69 159.03 30.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.838 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' SER . 89.1 p -34.48 -34.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 45' ' ' SER . 21.1 tp10 -64.24 -62.47 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -41.98 -56.37 2.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.7 ' H ' HD12 ' A' ' 49' ' ' ILE . 5.3 mp -49.93 -40.05 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -71.01 -58.07 3.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.11 -29.71 32.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.8 m -73.65 -50.09 22.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 53' ' ' PHE . 2.1 t80 -62.47 -24.34 67.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -54.05 -56.17 20.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.9 t -72.64 -38.36 67.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -126.77 88.49 54.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.718 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.413 ' HB3' ' CE1' ' A' ' 53' ' ' PHE . 54.3 Cg_endo -69.78 -13.64 34.92 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.647 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 30.2 p -130.1 31.4 4.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -108.27 -143.63 10.66 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.534 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.4 p -153.31 166.05 33.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' A' ' 72' ' ' ILE . 8.6 tt -139.69 113.29 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.15 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.2 p -99.55 132.27 45.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -152.78 174.36 14.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 75.7 p -146.32 136.26 23.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.175 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.46 -75.37 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.9 t -122.72 -66.82 0.99 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.4 tptt -126.13 -9.63 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.515 ' CD2' ' OG1' ' A' ' 83' ' ' THR . 3.1 m-85 -103.74 158.76 16.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.6 m -119.48 157.11 28.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.485 ' HA ' HD23 ' A' ' 82' ' ' LEU . 55.1 m-85 -150.73 135.63 17.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.53 ' CB ' HD21 ' A' ' 82' ' ' LEU . 19.9 tttp -119.47 135.9 54.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.475 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 96.5 mt -123.02 96.93 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.55 116.68 23.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -73.36 -43.48 60.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.647 ' HB2' ' O ' ' A' ' 58' ' ' CYS . . . -48.84 -42.63 36.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -87.15 -5.53 58.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 mmt 54.32 45.17 27.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -160.02 158.97 31.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.479 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 34.9 tt0 -98.04 123.73 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' LYS . 57.4 ttm -96.49 118.45 33.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.6 ' C ' HD22 ' A' ' 82' ' ' LEU . 2.4 m120 -80.31 144.78 32.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.653 ' N ' HD22 ' A' ' 82' ' ' LEU . 1.6 mm? -112.99 -31.21 6.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.654 HG23 HG23 ' A' ' 84' ' ' THR . 7.0 t -68.08 -53.2 27.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.654 HG23 HG23 ' A' ' 83' ' ' THR . 34.0 p -107.8 -24.75 11.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.08 30.36 31.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.533 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.43 ' N ' ' HB2' ' A' ' 81' ' ' ASN . 14.0 mmmt -76.71 174.14 10.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.324 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -135.4 120.9 19.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.479 ' CG ' ' HB3' ' A' ' 79' ' ' GLN . 5.9 ptp180 -125.41 -178.57 4.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.6 mt -120.43 155.46 33.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.657 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 29.8 pt -131.34 160.69 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.416 ' HG2' ' CE3' ' A' ' 31' ' ' TRP . 15.7 pttm -151.82 144.63 24.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.51 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 5.7 ttp-105 -112.26 116.01 29.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.671 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -151.72 162.98 25.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.533 0.682 . . . . 0.0 111.079 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.671 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 53.6 Cg_endo -69.76 153.67 68.65 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.8 m . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.729 0.3 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.558 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 26.0 mm-40 -75.03 146.31 41.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -108.75 105.97 15.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.47 140.15 14.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.479 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.558 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 8.1 m95 -91.9 146.82 23.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.74 0.305 . . . . 0.0 110.95 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -136.23 167.47 21.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -144.47 138.92 27.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.9 tp -69.59 133.55 47.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.954 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.2 -176.15 4.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.86 -55.12 25.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 72.9 m -56.41 -33.35 65.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.48 42.11 0.65 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.451 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -129.07 142.69 50.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.786 0.326 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.438 ' CE3' ' HG2' ' A' ' 91' ' ' LYS . 65.4 m95 -85.76 118.21 25.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -101.4 161.84 13.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.1 ttt -91.6 118.36 30.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -45.52 127.81 7.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.568 0.699 . . . . 0.0 110.957 -179.94 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.539 ' CG2' ' HB3' ' A' ' 48' ' ' ASP . 6.4 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.831 0.348 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 47' ' ' GLU . 1.2 m -98.8 143.83 28.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.505 ' HA ' HD13 ' A' ' 49' ' ' ILE . 13.7 p -31.98 -35.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 45' ' ' SER . 24.0 tt0 -46.75 -59.33 3.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.539 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 2.4 t0 -58.61 -69.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.539 ' H ' HD12 ' A' ' 49' ' ' ILE . 4.2 mp -33.12 -36.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 48' ' ' ASP . 5.6 tp10 -73.96 -64.21 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.487 ' CG ' ' N ' ' A' ' 52' ' ' SER . 8.9 ptpt -48.84 -47.49 42.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.487 ' N ' ' CG ' ' A' ' 51' ' ' LYS . 8.5 t -58.24 -49.11 78.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.439 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 23.4 t80 -58.26 -43.75 88.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -50.56 -62.71 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 t -66.32 -36.07 81.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.203 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -124.64 79.94 62.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.733 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -21.36 33.69 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.734 2.289 . . . . 0.0 112.337 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.1 p -122.26 33.63 5.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -111.41 -138.71 7.68 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.8 p -168.68 131.23 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.358 . . . . 0.0 110.855 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.651 HG23 ' O ' ' A' ' 61' ' ' ILE . 17.8 tt -101.99 105.49 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.6 p -95.57 125.83 40.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.587 ' CE2' ' HB2' ' A' ' 70' ' ' TYR . 50.0 p90 -139.33 178.95 6.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.0 p -143.54 163.09 34.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 66' ' ' SER . 4.3 p -143.31 -175.26 4.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.485 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 5.6 m -35.98 102.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.598 ' HE3' ' CE1' ' A' ' 68' ' ' PHE . 8.1 pttt 37.99 46.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.598 ' CE1' ' HE3' ' A' ' 67' ' ' LYS . 21.4 m-85 -152.5 161.05 43.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.406 ' CB ' ' HB2' ' A' ' 82' ' ' LEU . 10.3 t -129.06 150.4 50.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.587 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 82.3 m-85 -154.28 133.4 12.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' MET . 22.7 tttt -127.11 131.18 50.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 81.9 mt -120.95 98.53 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -86.01 109.27 18.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.439 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 24.0 m-85 -60.77 -45.07 95.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.15 -47.22 45.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -83.32 -2.6 56.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.426 ' HA ' HD11 ' A' ' 90' ' ' ILE . 4.1 mmt 45.61 53.01 8.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -159.71 156.7 28.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -96.08 108.74 21.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 71' ' ' LYS . 36.6 tpp -86.16 111.47 20.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.72 ' C ' HD22 ' A' ' 82' ' ' LEU . 19.8 t-20 -82.86 146.31 28.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.724 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -115.83 -46.06 2.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.456 HG23 HG23 ' A' ' 84' ' ' THR . 2.9 t -48.74 -46.94 41.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.456 HG23 HG23 ' A' ' 83' ' ' THR . 45.5 p -112.84 -24.01 9.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.52 21.83 59.46 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.464 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -76.82 172.57 12.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.741 0.305 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -120.48 138.32 53.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -144.47 162.55 36.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.4 ' N ' HD22 ' A' ' 89' ' ' LEU . 3.9 mm? -107.22 164.81 11.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.558 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 34.0 pt -138.93 172.03 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.438 ' HG2' ' CE3' ' A' ' 31' ' ' TRP . 36.6 pttt -171.82 154.27 3.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.517 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 31.8 ttp85 -119.06 129.75 55.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -153.0 158.11 32.94 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.609 0.719 . . . . 0.0 111.118 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.505 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 54.0 Cg_endo -69.79 143.07 49.53 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.626 ' C ' ' CD1' ' A' ' 95' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.749 0.309 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -76.06 136.22 39.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -102.46 123.01 45.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.41 176.39 18.91 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.789 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 14.2 m95 -121.05 141.88 50.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.787 0.327 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 58.6 m-85 -132.18 156.04 47.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.437 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 37.5 p90 -137.3 129.27 29.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.5 tp -62.34 150.91 38.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -109.23 171.59 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -63.5 -44.19 95.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.2 m -62.35 -31.51 72.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.62 38.61 0.97 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -134.68 129.88 35.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 110.839 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -81.23 112.79 18.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -104.98 136.83 43.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.653 ' CE ' ' CE2' ' A' ' 95' ' ' PHE . 2.9 tpt -64.26 150.41 46.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.468 ' CZ ' HD13 ' A' ' 49' ' ' ILE . 24.1 m-85 -66.42 170.68 5.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.628 HG13 ' CE2' ' A' ' 63' ' ' PHE . 33.9 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.886 0.374 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 m -80.11 153.99 28.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.9 p -42.35 -35.34 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -56.61 -63.29 1.25 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -43.89 -71.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.468 HD13 ' CZ ' ' A' ' 34' ' ' PHE . 14.7 mt -39.05 -56.91 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' LYS . 33.7 tt0 -48.79 -58.21 5.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLU . 11.1 ttpt -36.48 -38.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.436 ' OG ' HD12 ' A' ' 61' ' ' ILE . 49.2 m -78.06 -46.6 20.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 62.3 t80 -56.5 -40.63 75.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -51.39 -58.12 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.3 t -69.91 -38.77 76.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -130.85 91.94 35.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.669 0.747 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -10.76 29.32 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.715 2.276 . . . . 0.0 112.342 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.426 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 91.4 m -133.33 40.21 3.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.27 -158.56 11.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 25.5 p -144.45 149.17 35.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.368 . . . . 0.0 110.825 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.622 HG23 ' O ' ' A' ' 61' ' ' ILE . 16.9 tt -122.27 110.32 26.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.2 p -95.21 112.61 24.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.628 ' CE2' HG13 ' A' ' 44' ' ' VAL . 53.0 p90 -139.17 -179.72 6.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 71.1 p -139.5 167.26 22.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 30.7 p -132.89 -48.62 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 68' ' ' PHE . 80.9 p -158.13 107.92 2.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.587 ' HE2' ' CE1' ' A' ' 68' ' ' PHE . 4.2 pttm 38.19 27.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.587 ' CE1' ' HE2' ' A' ' 67' ' ' LYS . 17.6 m-85 -139.56 173.65 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 m -136.23 146.9 47.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.459 ' HA ' HD23 ' A' ' 82' ' ' LEU . 84.6 m-85 -140.95 136.75 32.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -124.34 125.17 43.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 91.8 mt -115.99 105.18 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.02 114.98 26.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.482 ' CD1' ' CH2' ' A' ' 22' ' ' TRP . 23.7 m-85 -69.41 -51.98 31.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . . . -46.58 -39.72 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -82.74 -19.06 38.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.436 ' C ' HG12 ' A' ' 90' ' ' ILE . 8.6 mmt 61.65 47.0 6.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.419 ' N ' HG12 ' A' ' 90' ' ' ILE . 7.5 ptpp? -162.42 152.98 17.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -95.08 117.76 30.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 59.5 ttm -94.18 109.69 21.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.637 ' C ' HD22 ' A' ' 82' ' ' LEU . 2.7 m-20 -79.43 145.11 33.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.666 ' N ' HD22 ' A' ' 82' ' ' LEU . 1.3 mm? -113.44 -36.97 4.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.622 HG23 HG23 ' A' ' 84' ' ' THR . 5.2 t -62.27 -46.36 89.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.622 HG23 HG23 ' A' ' 83' ' ' THR . 62.4 p -108.59 -25.92 10.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 85.0 28.83 30.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.538 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -91.22 175.39 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -144.01 146.57 32.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -157.21 121.97 4.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.3 mt -53.81 155.11 3.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.789 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 26.1 pt -129.26 157.63 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.417 ' NZ ' ' HB2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -149.66 138.9 21.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.4 ttp85 -99.49 111.81 24.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.605 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -138.49 160.78 62.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.537 0.684 . . . . 0.0 111.128 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.605 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 53.3 Cg_endo -69.78 170.16 17.24 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.653 ' CE2' ' CE ' ' A' ' 33' ' ' MET . 74.7 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 m -123.11 148.16 45.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 110.894 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.2 p -143.12 155.55 44.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.11 147.07 4.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 p -130.33 160.08 35.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.847 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.5 m -155.8 144.02 20.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.3 -51.96 0.29 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -77.25 171.31 15.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 110.924 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -154.77 135.76 13.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.6 t -118.69 101.7 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -109.49 -22.91 11.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' MET . 5.6 t70 -83.02 -9.1 59.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' ASP . 3.6 mmt 33.96 38.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -82.78 126.24 32.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 53.3 54.47 10.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 m -132.52 87.39 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -59.12 86.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.0 m -97.21 99.49 10.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.166 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -87.84 127.63 35.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -90.0 130.48 36.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.562 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -107.9 151.39 16.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.465 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 22.1 m95 -107.91 141.33 39.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.857 0.361 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -136.16 162.23 33.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -143.88 131.02 20.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.5 tp -64.37 144.52 57.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.5 -175.39 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -78.4 -33.92 48.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.9 m -70.14 -30.81 68.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.81 34.53 1.68 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -135.45 118.06 15.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.328 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -66.91 115.52 6.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -101.68 137.69 39.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.422 ' HB3' ' NE2' ' A' ' 35' ' ' GLN . 1.6 tmt? -73.94 154.05 39.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.595 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 79.8 m-85 -77.13 109.06 10.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.422 ' NE2' ' HB3' ' A' ' 33' ' ' MET . 20.8 mp0 -107.71 143.9 28.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.619 0.723 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 144.95 55.75 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.68 2.254 . . . . 0.0 112.345 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.475 ' CB ' ' HA ' ' A' ' 42' ' ' CYS . 71.7 m-20 -154.1 136.42 14.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.602 HG23 ' N ' ' A' ' 39' ' ' ASN . 10.2 t -107.04 -52.54 2.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.602 ' N ' HG23 ' A' ' 38' ' ' THR . 19.0 t-20 -109.42 -55.9 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.5 p -75.24 106.24 6.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 42' ' ' CYS . 17.2 mp0 55.22 39.57 31.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.475 ' HA ' ' CB ' ' A' ' 37' ' ' ASP . 22.9 t -34.42 136.09 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.494 ' HA ' HG21 ' A' ' 65' ' ' THR . 5.6 m -162.66 178.7 8.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.6 m -90.02 146.26 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.65 151.89 28.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.0 p -49.2 -19.28 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -77.83 -48.69 15.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -62.88 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.595 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 41.0 mt -47.08 -57.43 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -52.09 -56.64 13.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -38.86 -39.02 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.692 ' OG ' HD12 ' A' ' 61' ' ' ILE . 66.9 m -71.11 -64.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.434 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 5.2 t80 -38.22 -32.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -58.16 -65.13 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.9 t -64.71 -38.57 91.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.455 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 25.5 p-10 -125.57 82.19 63.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -15.31 36.91 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.279 . . . . 0.0 112.315 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.5 p -127.99 41.6 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.5 -142.27 5.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.505 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.5 p -159.88 142.26 13.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.351 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.692 HD12 ' OG ' ' A' ' 52' ' ' SER . 15.7 tt -107.56 106.94 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.2 p -86.06 126.4 34.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.492 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 23.4 p90 -150.01 157.35 43.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.453 HG22 ' OG ' ' A' ' 69' ' ' SER . 24.1 p -125.99 125.54 42.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.178 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.494 HG21 ' HA ' ' A' ' 43' ' ' SER . 15.0 t -152.42 169.18 23.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.417 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 3.7 t 47.49 52.85 11.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.422 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 6.7 ptpp? 41.89 37.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.467 ' CD1' ' OG1' ' A' ' 83' ' ' THR . 47.9 m-85 -159.0 150.68 20.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.453 ' OG ' HG22 ' A' ' 64' ' ' THR . 58.5 m -93.52 142.97 26.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.539 ' CE1' ' OD1' ' A' ' 81' ' ' ASN . 57.5 m-85 -140.06 146.16 38.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.423 ' NZ ' ' OD1' ' A' ' 73' ' ' ASP . 29.2 tttm -132.9 139.35 47.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 74.9 mt -124.43 107.51 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.423 ' OD1' ' NZ ' ' A' ' 71' ' ' LYS . 7.1 m-20 -94.17 99.62 11.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -60.45 -45.83 92.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.11 -40.15 60.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.96 -11.95 59.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.2 mmt 62.43 39.03 12.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.764 ' HB3' HD13 ' A' ' 89' ' ' LEU . 4.9 pttm -162.33 163.49 27.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -98.68 130.86 45.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 43.1 ttm -102.05 116.16 32.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.648 ' C ' HD22 ' A' ' 82' ' ' LEU . 10.8 t-20 -90.98 149.77 21.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.847 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -122.33 -26.58 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.592 HG23 ' N ' ' A' ' 84' ' ' THR . 7.1 t -68.87 -52.83 25.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.592 ' N ' HG23 ' A' ' 83' ' ' THR . 71.9 p -110.75 -20.41 12.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.61 31.11 51.34 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.442 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -87.98 131.24 34.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -90.46 135.38 33.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -147.24 121.97 9.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.764 HD13 ' HB3' ' A' ' 78' ' ' LYS . 4.2 mm? -76.1 144.78 40.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.3 pt -111.87 -176.75 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.1 pttm -171.62 144.5 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 38.6 ttp85 -111.0 126.21 54.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -156.81 151.97 21.52 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.563 0.697 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 152.48 69.38 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.657 2.238 . . . . 0.0 112.377 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.562 ' CE1' ' HA3' ' A' ' 21' ' ' GLY . 29.3 m-85 -65.37 -53.0 49.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.2 p -125.44 151.35 46.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.2 t -126.85 143.26 51.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.13 146.08 18.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 101' ' ' SER . 54.2 Cg_endo -69.66 -17.32 38.09 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.67 2.246 . . . . 0.0 112.395 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.6 m -44.57 93.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' PRO . 10.0 t -55.06 115.1 2.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.461 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m -121.75 -59.28 1.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 0.0 110.883 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.8 t -55.36 126.19 23.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.9 154.61 31.8 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 t -92.97 91.16 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.358 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.6 p -128.15 97.87 4.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.03 -169.31 0.82 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' A' ' 8' ' ' ASN . 4.3 p30 -75.39 155.16 36.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.55 40.05 3.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.0 t -133.52 124.51 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.27 134.36 34.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -120.71 78.56 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.413 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 23.1 mtm -101.65 -44.36 5.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 13' ' ' MET . 16.9 m-20 -174.0 176.09 2.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' ASP . 30.5 p 37.58 41.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t -105.2 78.87 1.43 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -43.13 102.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.8 m -149.06 140.69 23.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -89.33 134.89 33.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -112.03 121.99 46.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.483 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -114.7 156.4 15.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.413 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 9.3 m95 -108.42 134.5 51.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.823 0.344 . . . . 0.0 110.922 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.402 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 81.3 m-85 -130.9 136.91 49.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -121.52 139.28 53.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.986 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.87 143.32 57.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.22 168.31 9.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -64.06 -38.82 92.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 74.3 m -57.4 -29.01 63.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.57 -36.2 2.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -81.98 156.13 24.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.778 0.323 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -91.65 143.41 26.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -114.4 148.35 37.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.591 ' CE ' ' CE1' ' A' ' 95' ' ' PHE . 3.4 ttt -74.7 130.0 38.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.523 ' HD2' HD13 ' A' ' 49' ' ' ILE . 4.0 m-85 -45.06 122.17 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -144.33 149.85 46.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.562 0.696 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' ASP . 53.6 Cg_endo -69.71 113.6 3.42 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.368 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.469 ' CB ' HG21 ' A' ' 65' ' ' THR . 3.5 t70 -35.51 -57.1 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.71 117.28 27.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.172 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -50.94 -47.63 61.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.9 m -58.16 111.54 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 42.48 53.95 4.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.0 p -53.85 -177.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -106.42 -68.2 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.6 m -131.6 153.94 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.677 ' O ' HD12 ' A' ' 49' ' ' ILE . 29.4 m -137.17 168.36 19.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.2 p -41.05 -24.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' SER . 14.5 tt0 -82.12 -53.38 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -47.61 -51.57 20.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.677 HD12 ' O ' ' A' ' 45' ' ' SER . 5.3 mp -57.51 -69.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' A' ' 51' ' ' LYS . 9.3 tm-20 -35.85 -48.11 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.461 ' N ' ' OE1' ' A' ' 50' ' ' GLU . 24.0 tttp -62.99 -42.35 99.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 49' ' ' ILE . 17.2 t -65.78 -50.67 63.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.408 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 44.4 t80 -52.26 -40.43 61.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -56.63 -49.61 74.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.8 m -58.91 -53.13 61.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.407 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 26.3 t30 -130.74 90.71 39.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.711 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 56' ' ' ASN . 53.7 Cg_endo -69.78 -0.63 7.2 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.35 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.57 ' C ' ' HB2' ' A' ' 75' ' ' ALA . 96.6 m -131.49 29.78 4.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -115.46 -149.63 9.58 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.537 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.6 p -154.53 141.16 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.84 0.352 . . . . 0.0 110.85 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.544 HG23 ' O ' ' A' ' 61' ' ' ILE . 12.9 tt -114.9 111.2 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.6 p -92.54 128.26 38.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 10.1 p90 -151.27 133.19 15.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 48.7 p -118.58 123.61 45.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.469 HG21 ' CB ' ' A' ' 37' ' ' ASP . 71.4 p -92.52 158.95 15.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.6 t -53.87 -15.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -90.33 -55.62 3.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.532 ' CD1' ' OG1' ' A' ' 83' ' ' THR . 59.4 m-85 -158.99 176.85 11.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 0.7 OUTLIER -95.38 152.01 18.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.797 -179.753 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.578 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 38.5 m-85 -153.64 140.7 19.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.941 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' MET . 28.0 tttm -130.16 124.02 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.476 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 53.7 mt -108.98 104.56 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.414 ' OD1' ' CG ' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -88.69 98.72 11.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.408 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 19.3 m-85 -53.26 -44.91 68.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.57 ' HB2' ' C ' ' A' ' 58' ' ' CYS . . . -59.07 -45.28 91.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -80.3 -6.62 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.1 mmt 48.92 51.64 15.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.414 ' CG ' ' OD1' ' A' ' 73' ' ' ASP . 8.0 ptpp? -161.51 163.24 30.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.442 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 42.8 tt0 -106.83 103.57 13.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 71' ' ' LYS . 28.7 tpp -79.4 122.49 26.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.551 ' C ' HD22 ' A' ' 82' ' ' LEU . 39.6 t-20 -86.26 143.99 27.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.761 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -112.86 -42.18 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.532 ' OG1' ' CD1' ' A' ' 68' ' ' PHE . 2.6 t -55.76 -44.67 77.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.198 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.7 p -111.17 -18.72 12.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.9 17.13 77.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.429 ' N ' ' HB3' ' A' ' 81' ' ' ASN . 27.0 mmmt -81.55 171.06 15.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.08 141.84 50.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.442 ' CG ' ' HB3' ' A' ' 79' ' ' GLN . 11.7 ptp180 -143.78 162.87 34.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -99.34 152.87 19.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.4 pt -127.76 175.39 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -161.45 146.12 13.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 52.3 ttp85 -116.79 110.92 19.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -144.2 154.91 58.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.568 0.699 . . . . 0.0 111.066 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 146.03 58.79 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.591 ' CE1' ' CE ' ' A' ' 33' ' ' MET . 19.5 m-85 -53.9 -49.75 67.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 64.2 m -68.25 134.82 51.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.6 p -100.55 43.25 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 172.27 -157.95 28.06 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 179.73 3.47 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.5 p -98.19 128.49 44.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 m -160.27 121.76 3.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 m -66.03 86.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.915 0.388 . . . . 0.0 110.882 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -38.78 -43.35 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.837 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.29 -168.28 30.87 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t 59.22 42.23 18.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.882 0.372 . . . . 0.0 110.881 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -67.22 144.02 56.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.95 63.95 4.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -152.0 129.7 11.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -155.8 146.83 22.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 10' ' ' VAL . 21.8 m -109.86 81.88 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.89 86.23 2.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.18 153.99 34.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.3 mmt -70.37 -42.3 71.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.09 94.17 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.5 m -115.37 122.4 45.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' ASP . 59.7 p -126.95 178.86 5.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' SER . 1.5 p-10 -34.9 113.72 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.462 ' O ' ' CD1' ' A' ' 20' ' ' TRP . 3.2 t -151.89 177.5 10.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 50.2 mt-30 -74.22 119.34 18.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.462 ' CD1' ' O ' ' A' ' 18' ' ' THR . 86.8 m95 -118.04 125.88 51.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -128.11 156.26 20.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.491 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 11.1 m95 -96.72 144.92 26.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.779 0.323 . . . . 0.0 110.916 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.538 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 37.0 m-85 -132.97 158.82 41.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.827 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 32' ' ' HIS . 27.2 p90 -145.94 123.77 11.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.426 HD13 ' CE2' ' A' ' 31' ' ' TRP . 25.6 tp -51.82 158.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.403 ' N ' ' HG ' ' A' ' 25' ' ' LEU . . . -134.96 158.13 45.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.072 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -55.03 -39.33 69.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 p -56.55 -32.15 64.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.47 -40.39 1.93 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.495 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -82.28 139.7 34.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.739 0.304 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.426 ' CE2' HD13 ' A' ' 25' ' ' LEU . 29.2 m95 -72.83 151.66 41.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 42.7 m-70 -119.61 124.5 46.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.538 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 6.7 ttt -73.95 122.98 23.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.491 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 42.2 m-85 -42.83 119.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -139.63 147.7 52.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.576 0.703 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 129.91 18.44 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.229 . . . . 0.0 112.362 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -99.58 159.07 15.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 42' ' ' CYS . 13.0 m -45.97 157.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.418 ' N ' HG22 ' A' ' 38' ' ' THR . 35.7 m-80 -50.78 -50.05 56.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.0 m -40.89 -51.06 3.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -123.65 40.08 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 38' ' ' THR . 15.7 p -38.79 154.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 89.4 p -144.66 179.46 7.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.683 HG23 HD11 ' A' ' 49' ' ' ILE . 34.5 m -93.1 123.85 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.181 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.632 ' O ' HD12 ' A' ' 49' ' ' ILE . 24.7 m -84.12 162.0 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.6 p -45.71 -32.31 2.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -64.4 -50.35 67.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -53.39 -48.85 68.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.683 HD11 HG23 ' A' ' 44' ' ' VAL . 5.4 mp -66.43 -65.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -40.65 -39.48 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -63.12 -43.37 98.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.9 m -71.4 -48.43 49.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -43.17 -37.49 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -60.45 -62.26 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.6 m -47.94 -60.36 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.417 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 39.0 p-10 -125.26 86.58 56.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.727 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -15.25 36.9 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.528 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 36.3 t -118.07 35.2 4.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.58 -131.82 3.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.4 p -163.13 167.07 22.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.438 ' CG2' ' HB ' ' A' ' 72' ' ' ILE . 11.0 tt -128.38 118.9 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 96.5 p -102.02 140.26 36.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -165.89 177.43 7.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.2 p -141.64 150.33 41.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.185 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 49.4 p -130.26 -67.8 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 68' ' ' PHE . 75.1 m -117.13 96.25 5.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.484 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 0.3 OUTLIER 32.64 35.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.507 ' N ' ' O ' ' A' ' 66' ' ' SER . 21.2 m-85 -145.6 168.91 19.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.7 m -127.38 154.17 45.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -145.98 127.44 15.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.465 ' HB3' HD21 ' A' ' 82' ' ' LEU . 30.1 tttt -113.83 100.35 8.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.438 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 86.0 mt -89.36 106.75 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.136 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -85.8 133.76 33.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.433 ' CZ ' HG23 ' A' ' 49' ' ' ILE . 21.8 m-85 -91.13 -46.29 8.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.528 ' HB2' ' HA ' ' A' ' 58' ' ' CYS . . . -57.43 -39.51 76.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -83.47 -8.77 59.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.8 mmt 54.15 47.22 23.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -160.5 158.73 29.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -98.71 117.42 33.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 38.5 tpp -89.63 112.24 23.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.545 ' C ' HD22 ' A' ' 82' ' ' LEU . 15.9 t-20 -83.68 143.24 30.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.68 ' N ' HD22 ' A' ' 82' ' ' LEU . 1.6 mm? -115.15 -41.84 3.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.442 ' OG1' ' CD1' ' A' ' 68' ' ' PHE . 2.8 t -59.99 -44.36 94.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.4 p -107.43 -25.68 11.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.62 6.76 85.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.457 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -75.38 171.08 14.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -126.44 151.65 47.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 33.0 mtm180 -144.37 170.95 15.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -108.6 158.64 17.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.446 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 30.0 pt -143.09 145.75 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -148.35 154.66 40.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 20.1 ttp85 -115.88 101.29 8.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -128.06 154.51 78.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 152.15 69.19 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.641 2.228 . . . . 0.0 112.364 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 19' ' ' GLN . 20.5 p90 -119.56 119.76 34.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 47.2 p -174.02 148.1 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.836 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.3 t -44.39 -53.35 6.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 151.02 -157.61 27.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.544 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.409 ' HD3' HG13 ' A' ' 10' ' ' VAL . 53.9 Cg_endo -69.79 145.54 57.28 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.363 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 101' ' ' SER . 7.4 m -61.2 120.34 10.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 100' ' ' SER . 86.4 p 35.14 42.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 m -120.96 102.14 8.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.878 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.8 p -155.75 144.85 20.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.837 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.63 152.85 8.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -147.94 152.43 37.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 t -169.18 148.68 4.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.26 -178.9 45.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -147.91 159.25 44.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -104.0 20.46 18.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.4 m -125.64 131.86 71.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.177 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -119.15 102.69 8.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -125.8 127.87 46.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -111.49 133.95 53.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -105.06 153.41 21.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.1 m -96.57 -50.55 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.9 m -85.05 147.82 26.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 57.15 48.21 15.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.6 m -129.15 119.01 23.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -92.32 139.58 30.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -109.65 119.78 40.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.75 163.11 14.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.633 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 10.9 m95 -112.93 153.81 27.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.798 0.332 . . . . 0.0 110.921 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 22' ' ' TRP . 15.9 m-85 -145.49 156.46 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -137.76 142.54 40.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.431 ' HB2' ' CZ2' ' A' ' 31' ' ' TRP . 39.3 tp -72.07 136.08 46.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.71 158.99 16.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -57.27 -35.49 69.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -59.65 -30.11 68.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.29 -40.56 1.96 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.499 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -79.85 144.17 33.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.32 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.431 ' CZ2' ' HB2' ' A' ' 25' ' ' LEU . 25.5 m95 -84.05 138.7 32.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -119.12 123.23 43.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.4 ttt -52.75 154.53 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.811 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.528 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 20.2 m-85 -70.08 135.43 49.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -146.74 146.55 26.95 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.57 0.7 . . . . 0.0 110.931 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 127.2 14.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -80.17 173.28 12.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.851 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 42' ' ' CYS . 36.1 p -44.4 161.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -52.27 -45.66 65.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.0 p -57.71 -70.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 42' ' ' CYS . 51.1 mt-30 -84.1 23.73 1.02 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 38' ' ' THR . 42.2 t -36.87 117.67 0.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.7 m -102.88 -176.24 3.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.821 HG23 HD11 ' A' ' 49' ' ' ILE . 26.7 m -86.06 134.43 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.098 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.745 ' O ' HD12 ' A' ' 49' ' ' ILE . 15.0 m -90.26 158.87 16.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.1 p -38.79 -43.82 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -54.97 -57.46 11.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -51.36 -51.91 50.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.821 HD11 HG23 ' A' ' 44' ' ' VAL . 5.0 mp -55.7 -62.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.486 ' OE2' ' CG ' ' A' ' 54' ' ' LYS . 13.9 tm-20 -48.81 -55.85 10.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -42.93 -41.96 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.2 m -72.35 -59.68 2.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -42.29 -28.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.486 ' CG ' ' OE2' ' A' ' 50' ' ' GLU . 35.3 mtmt -64.26 -62.93 1.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 56' ' ' ASN . 4.5 t -62.35 -44.46 96.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 23.3 p-10 -119.52 81.43 23.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -16.85 37.89 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.724 2.283 . . . . 0.0 112.339 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 68.4 m -125.53 36.75 4.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.99 -140.39 5.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.2 p -162.3 141.07 9.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.833 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 61' ' ' ILE . 11.5 tt -102.63 102.65 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 83.2 p -87.0 123.49 32.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 13.3 p90 -146.99 138.02 23.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.6 p -117.69 118.63 32.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.175 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.8 p -86.0 -174.8 5.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.187 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 68' ' ' PHE . 2.7 t -45.03 116.72 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' SER . 11.5 ptpt 38.0 28.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 66' ' ' SER . 4.7 m-85 -136.44 164.63 27.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.1 m -136.18 145.07 45.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.562 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 89.7 m-85 -154.28 133.54 12.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.519 ' HB3' HD21 ' A' ' 82' ' ' LEU . 20.5 tttp -127.98 108.8 10.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.452 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 92.0 mt -98.72 98.57 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -84.74 128.19 34.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -84.4 -46.42 11.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.33 -44.87 54.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -82.8 -2.69 55.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.6 mmt 47.27 47.46 16.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -153.75 161.5 42.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.461 ' NE2' ' OD1' ' A' ' 81' ' ' ASN . 15.6 tt0 -100.18 116.44 32.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.474 ' HA ' ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -92.37 106.52 18.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.563 ' C ' HD22 ' A' ' 82' ' ' LEU . 2.5 m120 -87.95 132.43 34.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.782 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.7 OUTLIER -109.17 -39.9 5.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.919 HG23 HG23 ' A' ' 84' ' ' THR . 5.5 t -44.94 -44.34 9.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.156 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.919 HG23 HG23 ' A' ' 83' ' ' THR . 6.8 p -112.96 -25.25 9.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.89 30.67 20.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -96.11 174.0 7.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.694 0.283 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -123.68 127.47 48.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -128.5 177.39 7.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.2 mt -119.59 166.4 13.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.633 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 26.7 pt -144.99 174.57 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -171.46 155.13 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.1 ttp85 -117.83 128.33 54.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.445 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -161.34 156.35 20.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 0.0 111.069 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.445 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 54.0 Cg_endo -69.73 161.69 44.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.258 . . . . 0.0 112.357 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -66.28 -70.75 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.7 t -105.75 128.16 53.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.9 m -123.13 100.41 6.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 158.01 -179.29 33.83 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -174.46 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.361 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.1 m -110.2 163.66 13.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.2 m -91.12 -52.07 5.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.53 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -91.63 131.97 36.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.819 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -132.92 177.32 7.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.05 -74.29 0.16 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.459 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 6' ' ' SER . 1.2 t -151.8 174.74 13.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 5' ' ' SER . 2.0 m -36.61 119.61 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.73 -142.77 45.58 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -120.89 -51.94 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 57.1 44.41 22.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.0 t -59.65 -35.89 62.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.23 43.91 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -130.72 36.35 3.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 31.5 ttm -162.19 152.43 16.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -107.63 123.41 48.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.5 p -154.04 155.57 35.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.9 p -78.24 -51.3 10.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -57.52 105.47 0.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.9 m -156.24 132.29 9.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.161 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -103.47 130.37 50.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -98.49 125.03 43.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.561 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -107.28 158.23 15.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.508 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.531 ' CZ2' ' HD3' ' A' ' 92' ' ' ARG . 12.5 m95 -110.32 160.75 16.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 22' ' ' TRP . 47.1 m-85 -156.09 159.15 38.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.446 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 14.5 p90 -144.94 124.84 13.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.9 tp -48.27 140.66 7.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -109.75 175.74 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -75.81 -17.62 59.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.3 m -78.23 0.56 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.9 -44.69 1.78 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -82.26 172.15 13.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.79 0.329 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -97.39 149.58 21.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -125.78 127.69 46.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.3 ttt -56.02 140.66 42.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CD2' ' HB3' ' A' ' 22' ' ' TRP . 16.6 m-85 -58.79 136.79 57.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -151.6 155.76 34.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.6 0.714 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 123.48 10.15 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.691 2.261 . . . . 0.0 112.322 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -47.66 -70.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.409 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 33.0 p -154.22 177.37 11.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -53.56 -54.19 40.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 41' ' ' GLN . 5.9 t -63.95 129.28 39.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' SER . 10.2 mm-40 36.62 40.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 38' ' ' THR . 13.8 p -40.25 139.8 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.505 ' CB ' HG21 ' A' ' 65' ' ' THR . 1.3 t -68.48 -179.53 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.573 HG23 HD11 ' A' ' 49' ' ' ILE . 16.7 m -83.79 126.97 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.552 ' O ' HD12 ' A' ' 49' ' ' ILE . 14.1 m -81.98 157.22 24.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 45' ' ' SER . 31.1 p -35.23 -38.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -60.39 -57.52 12.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.61 -65.59 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.769 ' H ' HD12 ' A' ' 49' ' ' ILE . 5.1 mp -42.79 -56.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -54.41 -44.32 72.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -57.34 -30.28 64.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.0 t -76.15 -63.84 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 57' ' ' PRO . 7.4 t80 -45.83 -25.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -53.25 -51.14 63.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.411 ' CG2' ' N ' ' A' ' 56' ' ' ASN . 1.4 t -85.78 -39.04 17.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.436 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 22.9 p-10 -122.38 81.46 46.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.602 0.715 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 53' ' ' PHE . 54.1 Cg_endo -69.71 -21.05 34.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.236 . . . . 0.0 112.364 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.573 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 3.0 t -119.13 34.43 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -116.72 -133.29 5.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.5 p -164.4 147.55 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.868 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.533 HG23 ' O ' ' A' ' 61' ' ' ILE . 17.1 tt -114.82 115.34 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.6 p -100.09 115.22 29.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 70' ' ' TYR . 39.0 p90 -132.36 160.66 35.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.0 p -129.16 155.92 44.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.505 HG21 ' CB ' ' A' ' 43' ' ' SER . 36.5 p -141.58 -175.01 4.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.096 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.484 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 58.0 m -33.39 99.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.587 ' HE2' ' CE1' ' A' ' 68' ' ' PHE . 2.1 pttm 37.11 48.73 0.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.587 ' CE1' ' HE2' ' A' ' 67' ' ' LYS . 18.2 m-85 -149.19 163.72 36.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.8 m -136.27 146.22 46.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 98.1 m-85 -152.25 137.55 17.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.3 tttt -129.79 106.44 8.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.61 HG23 HD13 ' A' ' 90' ' ' ILE . 91.1 mt -93.78 97.41 7.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -80.83 112.94 18.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -70.43 -48.96 53.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 58' ' ' CYS . . . -51.14 -35.67 36.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -95.09 -3.37 48.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.4 mmt 46.84 53.23 10.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -158.29 148.74 20.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -95.12 103.61 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 49.1 tpp -78.14 113.25 15.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.676 ' C ' HD22 ' A' ' 82' ' ' LEU . 21.6 t30 -85.96 140.51 30.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.785 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -114.57 -48.4 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.473 HG23 HG23 ' A' ' 84' ' ' THR . 1.4 t -39.82 -43.02 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.473 HG23 HG23 ' A' ' 83' ' ' THR . 23.2 p -116.57 -24.2 7.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.78 20.05 41.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -87.72 170.17 11.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 -122.74 154.32 38.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -155.07 161.12 41.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 89' ' ' LEU . 3.5 mm? -101.49 155.64 17.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.61 HD13 HG23 ' A' ' 72' ' ' ILE . 16.4 pt -131.42 158.63 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.465 ' CG ' ' HB2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -148.89 152.84 37.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.531 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 18.0 ttp85 -121.09 106.53 11.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -133.31 152.66 79.78 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.614 0.721 . . . . 0.0 111.089 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 145.94 58.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.561 ' CE1' ' HA3' ' A' ' 21' ' ' GLY . 28.1 m-85 -62.92 127.65 32.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.3 t -83.22 84.84 7.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 90.7 p -112.93 170.79 7.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -62.2 165.16 22.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -11.35 30.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.4 t -146.54 170.28 17.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.7 t -108.81 -48.03 3.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.812 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.529 -179.963 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 m -160.03 112.48 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.5 p -104.0 42.18 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.65 70.81 0.17 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -140.59 119.03 12.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 110.843 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.1 p -131.64 140.08 49.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.33 -135.33 2.3 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -111.89 152.87 27.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -61.81 145.95 51.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.3 m -58.86 139.13 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -106.83 170.32 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -85.3 89.18 7.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.6 mmt -128.28 -177.49 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -57.41 115.54 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 51.1 p -100.69 125.06 47.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 t -93.07 174.06 7.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -40.11 101.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.1 m -112.45 125.04 53.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.409 ' CD ' ' HB2' ' A' ' 95' ' ' PHE . 28.6 pt20 -76.03 132.6 40.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -107.72 120.02 41.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -109.14 171.61 15.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.617 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 8.8 m95 -123.31 152.14 41.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.839 0.352 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 22' ' ' TRP . 15.8 m-85 -141.62 154.21 45.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.464 ' CD2' ' O ' ' A' ' 32' ' ' HIS . 45.1 p90 -137.11 124.55 22.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.7 tp -50.16 154.37 1.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . -118.61 146.66 44.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -50.37 -34.53 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 73.6 m -67.34 -26.34 66.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.38 -40.73 1.81 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.686 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -78.97 133.75 36.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.736 0.303 . . . . 0.0 110.936 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 22.2 m95 -74.35 149.02 40.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.464 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 35.3 m80 -128.24 127.3 42.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.404 ' HE1' ' CE2' ' A' ' 95' ' ' PHE . 7.2 ttp -62.32 142.91 57.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.588 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 60.1 m-85 -55.68 165.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -171.98 145.56 1.63 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.608 0.718 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 142.0 46.9 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.718 2.279 . . . . 0.0 112.377 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 38' ' ' THR . 1.6 t70 -85.33 -176.15 6.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 37' ' ' ASP . 13.1 m -36.62 154.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.189 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -50.84 -44.69 59.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' GLN . 94.1 p -54.92 109.77 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 40' ' ' SER . 21.4 pt20 35.03 51.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.5 p -45.2 168.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.577 ' HB3' HG21 ' A' ' 65' ' ' THR . 95.2 p -85.31 -176.59 6.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.5 m -80.84 125.47 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.2 m -81.19 166.85 20.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.83 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 p -43.44 -35.18 1.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -68.68 -61.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.57 -42.15 7.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 19.0 mt -66.09 -63.7 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.422 ' HB2' ' CD1' ' A' ' 22' ' ' TRP . 13.0 tm-20 -40.36 -42.28 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -63.52 -52.0 63.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.1 t -55.11 -38.01 67.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -63.94 -40.13 95.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -52.2 -64.15 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.506 HG23 ' N ' ' A' ' 56' ' ' ASN . 7.3 t -62.92 -47.38 83.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.506 ' N ' HG23 ' A' ' 55' ' ' THR . 2.8 m120 -117.82 84.52 20.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.673 0.749 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -9.07 25.2 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.667 2.244 . . . . 0.0 112.337 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.5 p -122.67 -22.38 5.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.75 174.41 39.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.435 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.52 153.17 44.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 110.856 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.701 HG23 ' O ' ' A' ' 61' ' ' ILE . 17.2 tt -106.67 106.59 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.8 p -90.3 116.75 28.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 52.6 p90 -133.38 172.48 12.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.1 p -145.56 137.81 25.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.577 HG21 ' HB3' ' A' ' 43' ' ' SER . 12.2 t -175.34 133.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.49 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 1.3 t 74.99 55.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.485 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 8.2 ptmt 34.62 34.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.49 ' CD2' ' O ' ' A' ' 66' ' ' SER . 31.7 m-85 -151.09 119.15 6.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.4 m -80.36 157.54 26.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.565 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 60.9 m-85 -153.82 136.71 15.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.496 ' HB3' HD21 ' A' ' 82' ' ' LEU . 31.2 tttt -126.89 126.39 43.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.4 mt -112.45 111.07 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -90.81 134.47 34.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -89.66 -47.1 8.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.62 -56.99 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -71.69 -4.33 26.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.431 ' C ' HG12 ' A' ' 90' ' ' ILE . 3.5 mmt 50.65 48.61 22.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -155.93 161.59 40.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -99.99 121.59 41.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.469 ' N ' ' O ' ' A' ' 71' ' ' LYS . 40.0 tpp -94.24 116.47 28.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.756 ' C ' HD22 ' A' ' 82' ' ' LEU . 2.5 m120 -87.63 145.22 26.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.756 HD22 ' C ' ' A' ' 81' ' ' ASN . 0.6 OUTLIER -115.22 -37.71 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.674 HG23 HG23 ' A' ' 84' ' ' THR . 5.1 t -61.1 -50.0 75.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.674 HG23 HG23 ' A' ' 83' ' ' THR . 31.0 p -108.62 -25.87 10.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.33 22.34 54.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -76.98 173.83 11.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.748 0.309 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -135.99 140.56 44.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -154.26 133.86 12.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.9 mp -70.39 165.99 21.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.617 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 20.1 pt -137.75 166.08 25.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.3 pttt -159.38 148.49 18.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.919 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.8 ttp85 -110.77 114.83 28.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -146.43 154.24 48.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.529 0.68 . . . . 0.0 111.102 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 145.02 55.99 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.345 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.409 ' HB2' ' CD ' ' A' ' 19' ' ' GLN . 24.3 m-85 -43.13 -47.17 6.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.8 t -70.05 131.61 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 m -60.6 -43.52 97.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -131.34 -154.61 7.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -13.12 34.15 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.8 t -145.35 169.51 18.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.0 t -95.95 -53.27 3.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 m -43.6 -56.87 3.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.6 p 45.58 41.92 7.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.91 111.77 4.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -98.26 96.86 8.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 p -108.73 168.62 9.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.69 50.39 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -134.83 112.15 10.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -66.02 134.43 52.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 10' ' ' VAL . 33.4 m -116.32 121.43 67.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.161 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -165.47 137.48 4.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -162.58 175.71 11.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 58.7 tpp -116.41 -42.5 3.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -145.79 134.64 22.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.9 p -130.15 146.02 51.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.6 m -64.76 -54.14 36.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -71.6 104.93 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.7 m -141.14 108.57 5.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.107 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -86.26 130.44 34.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -93.03 120.86 33.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -108.06 168.54 13.86 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -120.77 129.36 53.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.755 0.312 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -123.46 147.47 47.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 32' ' ' HIS . 33.9 p90 -128.82 131.07 47.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.833 HD12 ' CE2' ' A' ' 31' ' ' TRP . 10.2 tt -72.52 123.63 23.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.589 ' O ' HD23 ' A' ' 25' ' ' LEU . . . -78.1 156.84 29.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.071 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -53.63 -35.67 61.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 m -65.74 -33.48 75.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.14 33.38 1.25 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -131.98 123.21 26.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.771 0.319 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.833 ' CE2' HD12 ' A' ' 25' ' ' LEU . 59.2 m95 -77.74 110.13 12.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.403 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 88.6 m-70 -108.11 128.94 55.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.841 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.0 ttt -57.66 154.3 11.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.474 ' CD1' HD11 ' A' ' 49' ' ' ILE . 16.8 m-85 -75.29 120.55 20.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -131.32 146.88 63.91 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.557 0.694 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 116.51 4.59 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.733 2.289 . . . . 0.0 112.334 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.4 ' OD1' HG22 ' A' ' 38' ' ' THR . 4.5 t70 -76.02 159.69 30.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.4 HG22 ' OD1' ' A' ' 37' ' ' ASP . 14.9 t -46.93 165.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -51.55 -49.91 61.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.7 t -40.31 -61.56 0.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -110.11 37.8 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.3 p -37.89 116.64 0.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.3 p -106.34 178.9 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 m -87.4 136.78 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.13 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.3 m -84.52 160.07 20.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.7 p -44.01 -28.42 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 48' ' ' ASP . 31.9 tt0 -63.64 -70.36 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' GLU . 6.4 t0 -36.82 -57.94 0.78 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.474 HD11 ' CD1' ' A' ' 34' ' ' PHE . 20.1 mt -50.78 -62.4 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -45.91 -43.65 13.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -59.07 -47.24 85.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.9 m -65.43 -33.27 75.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 53' ' ' PHE . 5.1 t80 -74.86 -34.94 62.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -60.53 -55.86 28.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -54.02 -35.58 62.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.411 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 31.2 t30 -151.41 105.0 2.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.647 0.737 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 56' ' ' ASN . 54.0 Cg_endo -69.76 -18.09 37.19 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.337 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.533 ' C ' ' HB2' ' A' ' 75' ' ' ALA . 30.0 p -115.69 40.35 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.55 -152.28 9.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.533 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.5 p -155.53 143.19 19.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.705 HG23 ' O ' ' A' ' 61' ' ' ILE . 18.3 tt -108.19 100.8 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.2 p -85.49 118.48 25.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 12.0 p90 -145.79 134.25 21.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.5 p -116.0 128.72 55.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.2 p -97.98 -175.22 3.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 68' ' ' PHE . 13.8 t -42.65 119.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER 34.04 32.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.509 ' N ' ' O ' ' A' ' 66' ' ' SER . 5.4 m-85 -142.81 161.79 37.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 82' ' ' LEU . 12.0 m -135.49 147.36 48.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.574 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 92.8 m-85 -154.38 131.6 11.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.449 ' HB3' HD21 ' A' ' 82' ' ' LEU . 30.2 tttt -129.29 105.15 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.468 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 83.9 mt -92.34 97.32 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.6 116.4 18.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -74.51 -49.86 20.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.533 ' HB2' ' C ' ' A' ' 58' ' ' CYS . . . -47.25 -52.81 14.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.128 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -75.62 -6.07 48.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.415 ' C ' HG12 ' A' ' 90' ' ' ILE . 5.3 mmt 52.35 52.86 13.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.565 ' HB3' HD13 ' A' ' 89' ' ' LEU . 10.7 pttt -161.26 155.69 23.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 88' ' ' ARG . 24.5 tt0 -97.9 116.32 29.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 52.4 tpp -91.2 111.83 23.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.719 ' C ' HD22 ' A' ' 82' ' ' LEU . 16.4 t30 -82.51 140.33 33.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.72 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -115.88 -41.61 3.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.418 ' OG1' ' CE2' ' A' ' 68' ' ' PHE . 1.9 t -43.62 -42.38 5.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.189 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 63.1 p -118.85 -25.37 6.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.12 14.12 46.61 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -76.1 170.35 16.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.733 0.301 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -123.6 129.96 51.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 79' ' ' GLN . 65.9 mtt180 -132.69 158.55 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.565 HD13 ' HB3' ' A' ' 78' ' ' LYS . 3.8 mm? -105.48 161.25 14.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.415 HG12 ' C ' ' A' ' 77' ' ' MET . 7.6 pt -133.32 173.0 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -167.1 153.85 8.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -113.09 109.29 18.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -140.61 148.81 54.73 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.56 0.695 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 156.11 64.32 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.372 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -42.88 162.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 97' ' ' SER . 1.9 m -81.34 78.53 8.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 96' ' ' SER . 21.3 t -34.84 143.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 148.33 -176.07 27.31 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.456 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -6.56 18.9 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.624 2.216 . . . . 0.0 112.325 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 96.1 p -75.64 74.74 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 t 39.53 49.46 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.445 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -100.96 87.06 3.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 110.834 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 m -49.93 151.31 1.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.62 -106.19 2.89 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -139.26 177.14 8.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.828 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -126.24 110.52 13.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . -80.6 -85.16 0.67 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 7' ' ' GLY . 11.6 m120 -36.61 150.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -51.36 153.63 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.468 HG21 ' HG2' ' A' ' 99' ' ' PRO . 7.3 p -68.21 -28.65 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -165.12 177.51 7.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.17 42.87 2.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.3 ttt -119.23 129.73 55.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.58 123.12 18.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.0 p -135.32 149.53 49.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.177 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -126.32 43.35 3.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -112.76 93.86 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.811 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.5 m -96.77 101.74 13.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.186 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -86.01 124.96 33.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -93.98 115.79 28.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.35 161.36 14.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.558 ' CZ2' ' HD3' ' A' ' 92' ' ' ARG . 18.9 m95 -109.82 147.19 33.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.803 0.335 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.5 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 26.7 m-85 -132.33 148.71 52.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.533 ' HB3' ' CE2' ' A' ' 34' ' ' PHE . 22.8 p90 -129.99 127.79 40.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.0 tp -62.71 154.48 29.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.16 163.68 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.414 ' C ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -52.66 -45.85 66.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 m -60.0 -31.55 70.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.61 41.25 1.04 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -132.81 138.05 46.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.758 0.313 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -82.87 113.79 20.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -102.95 116.15 31.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.5 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 25.3 ttt -52.66 113.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 24' ' ' TYR . 13.1 m-85 -34.73 127.5 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -148.13 153.26 41.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.658 0.742 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 109.46 2.32 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -60.33 162.7 5.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.8 p -38.27 155.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -51.14 -42.66 60.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 t -52.07 -57.0 10.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.1 mp0 -111.63 41.6 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 16.4 p -47.92 121.27 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.9 m -109.06 177.39 4.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.66 HG23 HD11 ' A' ' 49' ' ' ILE . 27.6 m -75.18 127.75 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.167 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.0 m -84.8 164.4 18.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.6 p -39.02 -43.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -42.47 -59.29 1.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.432 ' OD1' HD11 ' A' ' 61' ' ' ILE . 5.4 t70 -56.98 -61.85 2.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.66 HD11 HG23 ' A' ' 44' ' ' VAL . 4.5 mp -43.09 -40.22 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -70.19 -67.75 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -40.92 -36.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 t -69.82 -54.05 15.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.487 ' HA ' ' CE2' ' A' ' 74' ' ' PHE . 38.8 t80 -50.98 -44.23 60.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -50.13 -57.93 6.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.3 m -46.05 -46.22 16.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.402 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 30.2 t30 -147.09 105.05 3.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.634 0.731 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 56' ' ' ASN . 53.8 Cg_endo -69.77 -13.78 35.14 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.712 2.275 . . . . 0.0 112.347 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.6 p -121.39 41.06 3.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.25 -165.23 11.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.1 p -133.19 149.11 52.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.652 HG22 ' O ' ' A' ' 72' ' ' ILE . 7.8 tt -110.22 107.79 23.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.9 p -97.75 113.23 24.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 70' ' ' TYR . 17.7 p90 -133.46 151.65 51.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.7 p -123.53 126.16 46.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 66' ' ' SER . 2.1 p -87.19 -175.69 5.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.193 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 65' ' ' THR . 5.1 p -34.09 -71.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.489 ' HG3' ' CE2' ' A' ' 68' ' ' PHE . 12.9 ptpt -131.62 47.11 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.489 ' CE2' ' HG3' ' A' ' 67' ' ' LYS . 81.6 m-85 -159.01 161.74 36.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.5 m -128.19 153.0 47.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 97.1 m-85 -154.08 136.88 15.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.4 ttmt -122.88 107.36 11.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.652 ' O ' HG22 ' A' ' 61' ' ' ILE . 75.8 mt -102.94 103.01 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.08 131.67 34.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.487 ' CE2' ' HA ' ' A' ' 53' ' ' PHE . 30.5 m-85 -84.28 -47.17 11.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.22 -44.55 68.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -77.58 -9.65 59.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.6 mmt 53.32 46.35 26.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -162.04 150.15 14.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.443 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 31.4 tt0 -95.2 119.94 34.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 45.2 ttm -91.95 112.46 24.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.759 ' C ' HD22 ' A' ' 82' ' ' LEU . 24.3 t-20 -83.07 145.45 29.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.759 HD22 ' C ' ' A' ' 81' ' ' ASN . 0.9 OUTLIER -119.47 -44.33 2.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.443 HG22 ' OD1' ' A' ' 81' ' ' ASN . 1.9 t -54.18 -41.29 68.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.8 p -113.86 -24.54 9.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.89 14.18 65.36 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.493 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.485 ' N ' ' HB3' ' A' ' 81' ' ' ASN . 3.3 mmmm -73.53 173.81 9.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.727 0.299 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -142.02 137.25 30.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.443 ' CG ' ' HB3' ' A' ' 79' ' ' GLN . 14.0 ptp180 -148.92 166.75 27.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.7 mp -98.91 165.27 11.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.1 pt -139.1 144.39 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -136.27 153.11 51.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.558 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 26.1 ttp85 -119.8 112.25 19.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.669 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -148.27 163.38 26.86 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 111.077 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.669 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 53.3 Cg_endo -69.8 160.94 47.83 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.62 2.213 . . . . 0.0 112.311 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -47.26 -56.76 6.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 64.03 41.25 6.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 70.2 p -156.96 166.88 32.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -92.23 136.01 13.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.538 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.468 ' HG2' HG21 ' A' ' 10' ' ' VAL . 53.8 Cg_endo -69.77 -7.67 21.64 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.369 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.4 t -48.31 103.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.2 m -139.19 175.45 9.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.498 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 t -127.16 85.7 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.356 . . . . 0.0 110.863 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -91.92 104.74 17.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.95 125.93 0.26 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 t -115.97 -59.75 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -157.88 164.97 36.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.828 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.21 104.14 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.465 ' O ' HG23 ' A' ' 10' ' ' VAL . 35.8 m-20 -95.19 -52.46 4.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.945 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 53.42 41.91 32.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 8' ' ' ASN . 95.8 t -120.75 126.73 75.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.49 112.11 20.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.46 147.17 1.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.6 mmt -123.45 150.69 43.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -95.97 86.78 4.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.7 m -158.26 146.88 18.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t -93.85 42.22 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -110.59 -17.56 13.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.0 m -55.58 102.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -90.27 121.65 32.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.445 ' HB3' ' NH1' ' A' ' 92' ' ' ARG . 90.1 m95 -88.32 124.28 33.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.07 157.11 15.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.535 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.555 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 14.4 m95 -104.88 136.38 44.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.479 ' CE2' ' SD ' ' A' ' 33' ' ' MET . 34.1 m-85 -129.58 168.12 16.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 34' ' ' PHE . 29.0 p90 -152.89 125.71 8.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.44 ' HG ' ' N ' ' A' ' 26' ' ' ALA . 40.4 tp -55.32 157.57 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.44 ' N ' ' HG ' ' A' ' 25' ' ' LEU . . . -116.47 162.41 17.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.079 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -50.1 -52.21 36.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.8 m -61.43 -31.74 71.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.417 ' HA2' HD11 ' A' ' 25' ' ' LEU . . . 115.89 43.13 0.69 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -135.35 117.56 15.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -69.7 121.64 17.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.48 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 26.0 m170 -113.55 118.31 34.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.498 ' HE3' ' CZ ' ' A' ' 95' ' ' PHE . 5.1 ttt -58.19 120.02 7.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.529 ' CG ' ' CD1' ' A' ' 49' ' ' ILE . 84.5 m-85 -40.04 146.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -138.1 145.43 47.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 145.95 58.63 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.682 2.255 . . . . 0.0 112.311 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -160.66 127.9 4.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.09 -54.81 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -109.83 -56.1 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.2 m -72.13 100.66 2.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 42' ' ' CYS . 45.6 tt0 59.46 43.37 16.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.453 ' C ' ' O ' ' A' ' 41' ' ' GLN . 42.4 t -34.0 141.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.9 p -165.64 -175.03 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 m -102.26 141.05 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.29 149.47 26.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 76.8 p -42.13 -34.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -59.94 -45.68 91.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.407 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 33.8 t70 -62.06 -63.04 1.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.529 ' CD1' ' CG ' ' A' ' 34' ' ' PHE . 42.9 mt -45.85 -40.54 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 52' ' ' SER . 0.4 OUTLIER -73.28 -67.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -36.7 -29.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 50' ' ' GLU . 54.5 m -77.35 -67.52 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 2.1 t80 -42.53 -25.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.29 -66.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.492 HG23 ' N ' ' A' ' 56' ' ' ASN . 13.4 t -71.21 -43.94 66.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.492 ' N ' HG23 ' A' ' 55' ' ' THR . 18.6 p-10 -113.32 77.69 3.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -13.13 34.06 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.615 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 4.0 m -125.91 37.1 4.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.47 -133.71 4.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.4 p -168.56 164.17 12.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.363 . . . . 0.0 110.813 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.572 HG23 ' O ' ' A' ' 61' ' ' ILE . 15.5 tt -137.34 106.26 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.5 p -83.99 139.44 32.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -166.55 176.15 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.832 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.7 p -129.39 162.78 27.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.113 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 42' ' ' CYS . 65.2 p -133.81 -73.27 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 11.3 m -124.31 89.08 3.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 66' ' ' SER . 0.0 OUTLIER 48.13 30.64 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.435 ' CD1' ' O ' ' A' ' 67' ' ' LYS . 21.0 m-85 -142.99 168.54 19.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 m -126.51 153.69 44.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -152.59 131.19 12.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -113.32 99.41 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 77.4 mt -81.02 102.3 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.32 119.93 29.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.417 ' CE1' ' CH2' ' A' ' 22' ' ' TRP . 23.2 m-85 -79.44 -43.57 23.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 58' ' ' CYS . . . -49.78 -30.11 9.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.061 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -103.73 -6.85 21.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.42 ' C ' HG12 ' A' ' 90' ' ' ILE . 76.8 mmm 55.14 50.31 15.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -161.09 156.5 24.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -95.12 145.82 24.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.5 tpp -107.42 121.89 45.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -96.42 105.8 17.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.688 ' N ' HD12 ' A' ' 82' ' ' LEU . 2.0 mp -93.19 -12.12 31.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.467 HG23 HG23 ' A' ' 84' ' ' THR . 5.5 t -81.13 -38.25 27.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.467 HG23 HG23 ' A' ' 83' ' ' THR . 74.2 p -115.94 -25.99 7.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.37 35.67 10.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -108.53 175.72 5.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.725 0.298 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -118.72 129.25 55.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 mtm-85 -123.7 144.37 49.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.0 mt -95.9 154.39 17.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.555 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 21.3 pt -132.5 145.98 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.1 pttm -134.06 145.65 49.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.488 ' HD2' ' NE1' ' A' ' 22' ' ' TRP . 6.0 ttt85 -120.1 107.34 12.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.765 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -141.84 165.68 26.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.533 0.682 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.765 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 53.2 Cg_endo -69.84 150.51 67.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.642 2.228 . . . . 0.0 112.312 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.498 ' CZ ' ' HE3' ' A' ' 33' ' ' MET . 12.3 m-85 -40.85 -43.4 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.9 p -107.01 91.77 3.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.6 t -50.18 -62.78 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.26 -157.8 7.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.415 ' HD3' HG22 ' A' ' 10' ' ' VAL . 53.5 Cg_endo -69.81 111.5 2.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.353 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.1 p -103.68 176.28 5.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -102.32 -46.68 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -97.41 42.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.856 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -84.64 -49.86 8.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.25 96.19 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 t -64.06 116.39 5.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -160.54 110.53 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.14 -172.57 13.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -100.51 129.74 46.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -111.84 92.1 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.9 t -97.7 -36.63 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.123 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -148.44 130.35 15.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -85.97 34.52 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.0 tpt -157.18 152.28 26.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.99 159.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.3 p -118.4 111.1 18.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 t -73.77 -59.89 2.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -80.63 98.41 7.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.3 m -135.69 115.37 12.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -88.79 118.91 28.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -86.57 119.42 26.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.575 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -102.4 174.16 23.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.787 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 24.1 m95 -123.56 144.91 49.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 110.922 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 25.1 m-85 -141.51 164.98 28.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.479 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 8.4 p90 -146.78 130.44 16.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.561 HD12 ' CZ2' ' A' ' 31' ' ' TRP . 2.9 tt -65.84 109.21 2.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.09 167.07 21.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.121 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 28' ' ' CYS . 7.7 pt-20 -64.3 -35.74 81.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 20.2 m -62.11 -30.23 70.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.72 -38.48 2.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.511 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -78.62 138.18 38.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.561 ' CZ2' HD12 ' A' ' 25' ' ' LEU . 28.2 m95 -77.6 127.85 33.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 46.5 m-70 -105.32 112.72 25.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.557 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 10.1 ttt -57.38 142.05 45.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.516 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 65.4 m-85 -60.2 135.42 57.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -151.15 145.8 18.44 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.566 0.698 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 110.65 2.62 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -81.68 161.61 23.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 42' ' ' CYS . 57.0 p -49.18 166.27 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.66 -45.38 73.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.7 t -47.77 -56.81 6.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -115.76 41.68 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 38' ' ' THR . 19.3 p -43.67 124.25 3.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.6 m -112.91 177.17 4.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.589 HG23 HD11 ' A' ' 49' ' ' ILE . 34.4 m -90.68 131.62 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.157 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.675 ' O ' HD12 ' A' ' 49' ' ' ILE . 58.8 m -91.79 154.23 19.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 45' ' ' SER . 82.0 p -34.33 -41.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -57.33 -58.51 7.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.46 -52.69 7.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.734 ' H ' HD12 ' A' ' 49' ' ' ILE . 3.8 mp -66.42 -64.89 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -41.87 -33.16 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -61.41 -60.41 3.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.2 m -58.69 -40.98 85.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.464 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 25.1 t80 -61.34 -52.51 64.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -48.54 -60.22 2.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.434 HG23 ' N ' ' A' ' 56' ' ' ASN . 7.7 t -55.7 -42.94 75.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.434 ' N ' HG23 ' A' ' 55' ' ' THR . 53.8 t30 -137.47 105.04 8.44 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.627 0.727 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -20.19 34.87 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.669 2.246 . . . . 0.0 112.335 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.484 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 1.8 m -115.68 41.2 2.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.81 -167.13 13.05 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.545 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.2 p -138.18 169.42 17.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.1 tt -140.46 117.62 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.1 t -99.4 144.36 28.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.427 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 29.9 p90 -164.97 173.94 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.8 p -142.27 153.9 44.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 p -104.42 -74.96 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.7 t -126.49 -72.57 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -128.27 28.87 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -140.53 173.83 11.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.6 m -131.5 155.67 47.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.482 ' HA ' HD23 ' A' ' 82' ' ' LEU . 66.7 m-85 -151.85 130.98 12.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -121.39 117.44 26.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 92.7 mt -101.62 110.73 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -92.34 128.59 38.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.464 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 18.6 m-85 -85.59 -49.36 8.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.484 ' HB2' ' HA ' ' A' ' 58' ' ' CYS . . . -52.15 -36.2 50.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.071 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -86.41 -10.23 54.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 mmt 55.23 44.12 28.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -159.53 164.79 34.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -100.06 123.64 44.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.9 tpp -91.23 116.92 29.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.747 ' C ' HD22 ' A' ' 82' ' ' LEU . 2.5 t-20 -87.04 141.91 28.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.787 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.7 OUTLIER -120.55 -49.61 2.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.599 HG23 HG23 ' A' ' 84' ' ' THR . 2.9 t -52.8 -48.37 66.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.599 HG23 HG23 ' A' ' 83' ' ' THR . 32.5 p -104.99 -25.97 12.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.63 13.67 75.14 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.468 ' N ' ' HB3' ' A' ' 81' ' ' ASN . 4.6 mptt -76.12 175.28 9.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.738 0.304 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.63 141.2 52.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -146.72 155.6 42.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.39 157.39 17.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.787 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 42.1 pt -132.62 146.77 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -138.1 140.65 40.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.501 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 39.0 ttp85 -110.41 100.61 9.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -126.21 152.67 73.88 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.606 0.717 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 149.22 66.65 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.73 2.286 . . . . 0.0 112.291 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.575 ' CE1' ' HA3' ' A' ' 21' ' ' GLY . 31.8 m-85 -68.26 92.85 0.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.1 p -130.44 102.23 6.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.8 m -125.41 85.74 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.72 -169.52 50.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 175.59 7.9 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.651 2.234 . . . . 0.0 112.371 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 101' ' ' SER . 84.2 p -132.56 153.82 50.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 100' ' ' SER . 68.6 m -36.06 148.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.486 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 t -85.19 -59.35 2.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 m -73.48 115.61 13.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.24 128.29 0.36 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -95.43 -49.75 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.838 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 m -114.08 43.24 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' O ' ' CD ' ' A' ' 9' ' ' GLU . . . 73.33 127.63 0.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -45.37 123.7 4.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.413 ' CD ' ' O ' ' A' ' 7' ' ' GLY . 31.0 mp0 -110.06 11.19 23.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.5 m -119.73 134.18 64.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -50.83 156.58 0.94 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -70.89 171.96 9.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.9 mmt -85.98 93.08 8.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -122.04 41.03 3.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.6 t -138.61 157.42 46.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 t -87.78 -45.44 10.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -60.0 89.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.8 m -164.13 131.66 3.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -81.74 126.57 31.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -104.65 111.62 24.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.98 167.77 30.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.55 ' CH2' ' CD1' ' A' ' 74' ' ' PHE . 22.8 m95 -119.53 138.69 53.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.758 0.313 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.502 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 3.6 m-85 -130.06 151.92 50.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 34' ' ' PHE . 7.8 p90 -141.98 123.61 15.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.474 ' HB2' ' CE2' ' A' ' 31' ' ' TRP . 7.9 tp -51.14 134.04 27.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . -94.75 177.31 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -76.67 -41.49 45.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 t -59.36 -30.65 68.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.74 -41.29 1.51 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 14.9 mmtm -79.58 136.93 36.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.766 0.317 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.474 ' CE2' ' HB2' ' A' ' 25' ' ' LEU . 15.9 m95 -73.42 141.94 46.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.412 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 32.4 m170 -119.54 113.45 20.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.502 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 2.8 ttt -62.38 120.33 10.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 24' ' ' TYR . 96.0 m-85 -38.29 129.74 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.849 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -125.02 142.17 40.47 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 142.82 49.03 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.2 154.56 41.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.5 p -105.4 -70.17 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 40' ' ' SER . 15.1 m120 -108.6 -49.44 3.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' ASN . 57.6 m -35.48 -71.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 43' ' ' SER . 21.2 mt-30 -112.85 -9.28 13.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.6 p 38.77 25.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 41' ' ' GLN . 5.3 t -72.55 -173.79 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.506 HG23 HD11 ' A' ' 49' ' ' ILE . 3.9 m -95.64 157.35 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.24 146.15 23.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.9 p -42.12 -28.24 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -74.95 -51.45 13.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -45.79 -63.33 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.506 HD11 HG23 ' A' ' 44' ' ' VAL . 19.5 mt -49.37 -52.93 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.455 ' C ' ' OE1' ' A' ' 50' ' ' GLU . 2.2 tm-20 -51.94 -61.34 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -39.12 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.689 ' HB2' HD12 ' A' ' 61' ' ' ILE . 8.0 t -77.92 -48.11 17.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.443 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 7.3 t80 -59.1 -24.69 63.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -53.75 -61.61 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -78.48 -31.63 47.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -116.41 74.95 6.23 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -23.78 30.59 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.71 2.274 . . . . 0.0 112.333 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.494 ' C ' ' HB2' ' A' ' 75' ' ' ALA . 30.8 p -127.25 36.78 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.27 -142.88 6.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 p -151.83 139.61 19.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.689 HD12 ' HB2' ' A' ' 52' ' ' SER . 5.7 tt -104.51 117.59 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 90.5 p -93.95 124.32 37.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.539 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 10.6 p90 -146.6 133.0 19.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 69' ' ' SER . 40.7 p -118.4 136.14 53.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.185 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 t -155.01 133.34 11.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.478 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 1.4 t 69.46 53.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 66' ' ' SER . 7.4 ptpp? 46.26 29.93 0.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -122.82 172.1 8.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.409 ' HA ' HG22 ' A' ' 64' ' ' THR . 6.2 p -134.75 129.81 35.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.809 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.539 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 68.4 m-85 -138.66 138.97 38.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.608 ' HB3' HD21 ' A' ' 82' ' ' LEU . 25.5 ttpt -133.86 114.72 13.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 74.3 mt -96.14 115.13 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.36 114.3 25.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.55 ' CD1' ' CH2' ' A' ' 22' ' ' TRP . 20.4 m-85 -81.54 -45.61 15.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.494 ' HB2' ' C ' ' A' ' 58' ' ' CYS . . . -51.88 -42.18 62.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.061 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -88.91 1.09 55.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.7 mmt 49.29 52.15 14.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -160.76 159.48 30.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.502 ' NE2' ' OD1' ' A' ' 81' ' ' ASN . 6.7 tm0? -100.91 121.05 41.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 71' ' ' LYS . 25.1 ttm -97.87 112.98 24.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.502 ' OD1' ' NE2' ' A' ' 79' ' ' GLN . 15.3 m-20 -89.14 140.51 29.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.713 ' N ' HD22 ' A' ' 82' ' ' LEU . 1.3 mm? -112.97 -23.37 10.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.531 HG23 HG22 ' A' ' 84' ' ' THR . 9.2 t -65.8 -40.22 91.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.531 HG22 HG23 ' A' ' 83' ' ' THR . 1.7 t -124.79 -20.57 4.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.54 16.27 66.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' H ' HG23 ' A' ' 84' ' ' THR . 6.9 mmmm -73.16 146.46 45.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.704 0.288 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -101.13 131.54 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -134.27 178.9 6.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.9 mt -125.35 154.13 42.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.455 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 10.6 pt -132.15 175.32 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -167.44 145.31 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.533 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 1.4 tpt180 -106.08 123.71 48.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -161.61 151.28 13.84 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.559 0.695 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 150.48 68.41 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.339 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -42.08 -56.56 2.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 60.4 p -147.06 143.72 28.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.9 p -77.92 -52.4 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.82 85.61 1.54 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -1.92 9.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.357 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.8 t -119.8 109.81 16.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 81.4 p -145.21 137.75 26.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.494 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.1 m -114.91 124.0 50.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.849 0.357 . . . . 0.0 110.826 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -62.91 148.65 46.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.11 104.21 2.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 t -152.48 160.41 43.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 0.0 110.874 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -88.75 -44.59 10.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.35 157.33 2.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -40.24 157.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.352 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -116.87 41.18 2.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.576 ' O ' HG12 ' A' ' 10' ' ' VAL . 39.1 t 42.05 49.17 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -75.83 177.7 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -48.07 171.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.9 ttt 51.06 42.73 28.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 15' ' ' THR . 27.0 t70 -132.81 173.57 11.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 14' ' ' ASP . 24.1 m -34.23 116.1 0.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.0 p -56.16 -176.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 62.76 47.26 4.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.415 ' O ' ' CD1' ' A' ' 20' ' ' TRP . 48.6 m -96.61 112.39 24.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -72.76 112.39 8.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.415 ' CD1' ' O ' ' A' ' 18' ' ' THR . 56.9 m95 -88.14 132.12 34.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.65 157.46 17.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.848 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 20.6 m95 -107.21 133.23 52.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.762 0.315 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.555 ' CD2' ' HB2' ' A' ' 33' ' ' MET . 4.9 m-85 -133.33 157.85 44.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 32' ' ' HIS . 30.1 p90 -144.1 123.77 13.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 26' ' ' ALA . 61.8 tp -46.72 165.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.466 ' N ' ' HG ' ' A' ' 25' ' ' LEU . . . -129.66 177.98 6.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -66.27 -58.3 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.6 t -56.05 -32.77 64.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.15 38.27 0.75 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -130.88 121.46 25.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.774 0.321 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -69.97 116.23 10.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 35.6 m170 -95.53 129.3 42.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.555 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 11.4 ttt -83.31 118.07 23.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.649 ' CD2' ' CD1' ' A' ' 49' ' ' ILE . 92.3 m-85 -37.84 148.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -133.8 147.59 64.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.647 0.737 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 152.75 69.27 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 38' ' ' THR . 22.8 m-20 -169.11 175.59 5.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' ASP . 16.7 m -33.42 148.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 41' ' ' GLN . 9.5 m120 -93.54 -55.89 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 39' ' ' ASN . 39.6 p -34.29 94.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 39' ' ' ASN . 5.6 tt0 36.86 54.23 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' THR . 8.2 m -130.9 -174.94 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.419 ' HB2' HG22 ' A' ' 65' ' ' THR . 1.8 t -49.69 179.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.1 m -131.95 155.17 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -86.77 151.4 23.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.8 p -42.09 -40.05 2.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -63.71 -53.15 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -43.66 -67.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.649 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 24.1 mt -41.99 -55.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -51.6 -49.17 62.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -46.15 -39.63 9.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.3 m -66.61 -67.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.502 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 3.0 t80 -44.09 -38.37 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -45.89 -52.21 11.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.9 t -83.4 -40.35 19.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.159 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 31.8 p-10 -123.32 82.4 52.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.496 ' HB3' ' CE1' ' A' ' 53' ' ' PHE . 53.7 Cg_endo -69.77 -8.78 24.47 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.666 2.244 . . . . 0.0 112.38 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.7 p -125.51 37.9 4.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.02 -158.13 9.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.487 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.1 p -145.26 170.21 16.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.542 HG23 ' O ' ' A' ' 61' ' ' ILE . 17.3 tt -145.53 113.59 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.1 p -93.49 130.42 39.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -155.5 170.96 20.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 42' ' ' CYS . 60.5 p -132.4 170.05 15.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.419 HG22 ' HB2' ' A' ' 43' ' ' SER . 42.1 p -121.29 -58.48 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.1 t -132.34 -73.29 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -124.94 -17.38 5.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -100.35 165.53 11.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.7 m -121.08 161.96 20.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.519 ' HA ' HD23 ' A' ' 82' ' ' LEU . 85.7 m-85 -150.96 134.5 16.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -118.4 122.97 44.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 91.1 mt -105.96 99.22 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -93.21 103.45 15.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -57.68 -49.55 76.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.37 -42.5 31.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -81.31 -18.73 44.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.428 ' C ' HG12 ' A' ' 90' ' ' ILE . 7.1 mmt 61.76 43.63 9.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -162.46 157.24 22.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -97.24 113.88 25.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.479 ' HA ' ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -83.02 118.36 23.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.638 ' C ' HD22 ' A' ' 82' ' ' LEU . 2.4 m120 -81.11 143.38 32.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.718 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -111.3 -29.91 7.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.613 HG23 ' N ' ' A' ' 84' ' ' THR . 8.2 t -73.59 -53.34 10.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.613 ' N ' HG23 ' A' ' 83' ' ' THR . 69.7 p -104.33 -22.78 13.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 81.58 20.67 63.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.487 ' N ' ' HB2' ' A' ' 81' ' ' ASN . 16.7 mtmm -75.02 174.29 9.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.728 0.299 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -134.07 140.04 46.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 68.0 mtm-85 -147.52 128.88 14.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.97 141.51 44.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.848 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 30.3 pt -109.95 176.83 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -165.85 151.98 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.51 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 5.8 ttp-105 -124.33 102.51 7.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.703 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -128.44 163.61 43.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.592 0.71 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.703 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 54.2 Cg_endo -69.72 144.43 54.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -39.13 135.49 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -47.29 -50.05 22.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.1 t -67.44 116.66 8.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -61.24 -123.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.523 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 93.37 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.721 2.281 . . . . 0.0 112.372 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.2 p -121.61 84.18 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.6 m 43.62 40.96 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.477 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.434 -0.266 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 m -78.09 -47.5 18.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.361 . . . . 0.0 110.841 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.4 p -104.23 156.93 17.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.82 94.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.433 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -44.58 125.69 4.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.935 0.398 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -64.8 -44.77 88.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.96 -86.1 1.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -169.61 174.84 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.772 0.32 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 10' ' ' VAL . 32.0 mt-10 -85.05 78.33 9.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.548 ' O ' HG12 ' A' ' 10' ' ' VAL . 39.8 t 34.12 52.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -50.82 173.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 43.54 42.75 4.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -61.88 163.29 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -156.19 122.38 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.4 t -62.76 114.29 3.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.188 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.7 t -170.72 116.61 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 t0 67.62 40.37 2.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.2 m -47.67 99.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -73.06 147.01 45.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -107.28 126.02 51.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -109.64 169.23 13.58 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.672 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 26.9 m95 -119.16 132.74 56.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.76 0.314 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -133.35 143.1 48.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 34' ' ' PHE . 36.1 p90 -117.6 129.52 55.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.645 HD13 ' CE2' ' A' ' 31' ' ' TRP . 45.8 tp -56.66 145.38 28.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.74 173.57 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -76.44 -39.73 52.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.9 t -56.92 -31.91 65.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.75 -40.34 1.86 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -78.63 143.33 36.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.645 ' CE2' HD13 ' A' ' 25' ' ' LEU . 44.2 m95 -83.99 149.19 26.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -131.69 124.13 29.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.556 ' HE1' ' CZ ' ' A' ' 95' ' ' PHE . 7.3 ttm -56.64 160.39 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.538 ' HE2' HD11 ' A' ' 72' ' ' ILE . 45.9 m-85 -77.52 112.18 14.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 34' ' ' PHE . 2.7 mp0 -119.0 148.75 45.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 134.91 29.06 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.661 2.24 . . . . 0.0 112.316 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.446 ' CB ' ' HB ' ' A' ' 65' ' ' THR . 5.3 t70 -42.07 -65.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 42.0 m -127.0 127.65 45.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -50.65 -54.72 20.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -60.27 -44.93 94.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -124.2 84.29 2.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.8 p -109.42 173.66 6.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.6 m -123.51 -63.18 1.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.9 m -131.84 156.29 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 46' ' ' SER . 33.0 m -137.13 167.39 21.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' SER . 87.0 p -37.21 -37.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.857 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -69.65 -55.69 9.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.03 -61.23 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.465 HD13 ' CD2' ' A' ' 34' ' ' PHE . 19.3 mt -48.77 -49.94 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -52.53 -52.11 56.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -49.29 -43.06 42.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.0 t -63.01 -41.34 99.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.446 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 35.7 t80 -61.59 -41.47 97.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -52.62 -63.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.3 t -68.94 -30.43 68.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -126.81 81.43 69.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -30.23 22.75 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.717 2.278 . . . . 0.0 112.366 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.455 ' CA ' ' HB2' ' A' ' 75' ' ' ALA . 79.4 m -122.95 45.16 2.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.99 -135.84 5.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.9 p -168.1 145.85 4.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.349 . . . . 0.0 110.826 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.531 HG23 ' O ' ' A' ' 61' ' ' ILE . 16.5 tt -119.81 118.08 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.0 p -103.01 97.65 7.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.437 ' HE2' HD12 ' A' ' 72' ' ' ILE . 51.1 p90 -119.28 162.04 19.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.722 HG22 ' HA ' ' A' ' 69' ' ' SER . 78.3 p -141.82 133.38 26.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 67' ' ' LYS . 77.1 p -104.38 52.01 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 t 39.94 25.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.601 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 23.1 ttpt -134.63 -51.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 67' ' ' LYS . 39.9 m-85 -158.56 137.56 11.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.722 ' HA ' HG22 ' A' ' 64' ' ' THR . 16.1 m -77.59 132.39 38.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -129.9 143.11 50.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -129.27 101.74 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.538 HD11 ' HE2' ' A' ' 34' ' ' PHE . 65.1 mt -92.32 113.41 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -97.07 100.5 11.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.446 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 24.7 m-85 -56.36 -43.32 79.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.455 ' HB2' ' CA ' ' A' ' 58' ' ' CYS . . . -54.11 -45.18 71.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.078 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -78.96 -13.44 59.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.434 ' C ' HG12 ' A' ' 90' ' ' ILE . 1.4 mmt 61.66 41.77 11.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.48 163.63 27.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -95.46 159.06 15.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 60.2 ttm -135.75 110.52 8.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -83.37 142.36 31.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.623 ' N ' HD22 ' A' ' 82' ' ' LEU . 2.1 mm? -108.45 -21.39 12.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.95 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.593 HG23 HG23 ' A' ' 84' ' ' THR . 6.3 t -76.8 -45.32 29.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.593 HG23 HG23 ' A' ' 83' ' ' THR . 70.8 p -110.39 -26.01 9.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.26 28.45 27.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -95.23 148.63 22.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.705 0.288 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -119.51 117.52 28.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -118.02 122.08 42.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.2 tp -50.01 165.79 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.672 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 38.3 pt -140.18 143.35 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.496 ' HD3' ' CD2' ' A' ' 31' ' ' TRP . 10.1 ptmm? -132.72 147.26 52.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.487 ' HD2' ' NE1' ' A' ' 22' ' ' TRP . 5.7 ttt-85 -117.88 103.88 10.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.62 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -128.25 161.4 56.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.573 0.702 . . . . 0.0 111.094 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.62 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 54.2 Cg_endo -69.81 153.73 68.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.703 2.269 . . . . 0.0 112.338 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.556 ' CZ ' ' HE1' ' A' ' 33' ' ' MET . 11.1 m-85 -58.99 105.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 95' ' ' PHE . 60.0 m -36.2 -42.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.827 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.4 p -117.42 93.31 4.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -112.13 89.35 0.52 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 168.93 20.12 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.1 t -137.37 155.03 49.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 53.5 m 52.73 42.23 31.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.487 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 t -101.02 -49.54 4.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.371 . . . . 0.0 110.82 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -68.93 -52.34 30.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.96 76.85 0.25 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.447 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -90.79 42.02 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 t -129.88 123.75 31.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.59 62.81 0.69 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.509 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -126.52 97.94 5.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.902 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -92.25 118.79 31.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.7 t -51.36 -38.15 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -158.74 134.08 8.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -46.52 170.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.5 ptt? -118.74 41.03 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -124.38 80.1 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.3 p -155.28 158.23 38.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.4 t -70.09 -51.42 31.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.01 105.35 12.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 85.9 m -154.33 132.0 11.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.202 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -88.67 131.4 35.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -101.16 124.16 46.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.88 162.68 12.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.447 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.796 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 12.9 m95 -106.55 145.65 31.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.423 ' CE2' ' HG3' ' A' ' 33' ' ' MET . 72.1 m-85 -140.9 155.37 46.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' A' ' 32' ' ' HIS . 24.7 p90 -137.27 125.34 22.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.479 HD13 ' CE2' ' A' ' 31' ' ' TRP . 15.4 tp -55.45 145.98 21.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.03 167.57 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.078 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -64.22 -40.72 96.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.2 t -57.62 -32.33 67.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.78 -38.8 2.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -79.42 136.12 36.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.479 ' CE2' HD13 ' A' ' 25' ' ' LEU . 36.9 m95 -72.56 143.7 48.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.466 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 39.9 m-70 -119.8 127.74 53.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.423 ' HG3' ' CE2' ' A' ' 23' ' ' PHE . 5.3 ttt -64.48 146.61 54.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 51.6 m-85 -66.04 156.19 34.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.481 ' HB2' ' CB ' ' A' ' 41' ' ' GLN . 22.3 mm-40 -137.48 153.11 74.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.534 0.683 . . . . 0.0 110.938 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' A' ' 38' ' ' THR . 53.5 Cg_endo -69.78 160.9 47.97 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.683 2.256 . . . . 0.0 112.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 37' ' ' ASP . 5.1 p-10 -46.17 89.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.583 ' O ' ' N ' ' A' ' 42' ' ' CYS . 5.5 t -144.65 158.11 43.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.18 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -50.03 -40.17 43.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.437 ' HB3' HG23 ' A' ' 38' ' ' THR . 22.4 t -50.61 -75.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.481 ' CB ' ' HB2' ' A' ' 35' ' ' GLN . 28.9 tp60 -95.4 -40.66 9.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.605 ' O ' HG21 ' A' ' 65' ' ' THR . 43.1 t 64.02 54.96 1.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.5 t -154.43 178.2 10.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.587 HG23 HD11 ' A' ' 49' ' ' ILE . 20.3 m -71.53 145.54 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.072 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -80.06 160.96 25.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.0 p -45.43 -37.35 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -53.51 -70.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -42.41 -62.36 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.587 HD11 HG23 ' A' ' 44' ' ' VAL . 17.7 mt -47.48 -60.19 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -47.98 -48.24 32.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -52.15 -47.1 65.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.1 m -68.17 -35.06 77.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.418 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 44.2 t80 -63.72 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -61.67 -64.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.6 t -63.92 -36.62 84.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -123.75 76.79 56.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.73 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -28.84 24.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.643 2.229 . . . . 0.0 112.385 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.868 ' C ' ' HB2' ' A' ' 75' ' ' ALA . 28.2 p -116.88 34.41 5.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.93 -137.4 5.58 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.431 ' CB ' ' HA ' ' A' ' 73' ' ' ASP . 23.8 p -161.65 147.14 13.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 110.871 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.514 HG23 ' O ' ' A' ' 61' ' ' ILE . 11.1 tt -115.08 107.91 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.5 p -89.34 121.4 31.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 7.1 p90 -144.12 134.66 24.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.2 p -113.39 116.68 30.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.605 HG21 ' O ' ' A' ' 42' ' ' CYS . 64.6 p -88.33 139.7 30.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.7 t -40.11 -25.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 65' ' ' THR . 32.8 ttmt -84.35 -58.21 2.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.433 ' CD2' ' HG2' ' A' ' 67' ' ' LYS . 30.7 m-85 -149.36 176.32 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.9 m -102.95 150.51 23.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.584 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 81.8 m-85 -154.5 142.81 20.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -134.25 100.21 4.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.6 mt -85.32 108.52 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.431 ' HA ' ' CB ' ' A' ' 60' ' ' SER . 2.7 m-20 -92.01 97.14 10.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.418 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 23.8 m-85 -53.92 -48.07 70.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.868 ' HB2' ' C ' ' A' ' 58' ' ' CYS . . . -49.78 -41.32 44.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -83.46 -16.28 46.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.428 ' C ' HG12 ' A' ' 90' ' ' ILE . 5.1 mmt 62.48 44.71 6.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.8 162.93 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.472 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 15.3 tt0 -95.02 132.07 40.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.0 tpp -93.98 94.16 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.477 ' CG ' ' HG1' ' A' ' 84' ' ' THR . 5.9 t-20 -74.67 113.28 11.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 mt -99.22 -39.83 8.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.656 HG23 HG23 ' A' ' 84' ' ' THR . 3.9 t -57.71 -39.32 76.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.656 HG23 HG23 ' A' ' 83' ' ' THR . 53.0 p -108.26 -25.94 10.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.99 17.18 67.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.421 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -94.37 175.3 6.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.721 0.296 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -130.06 149.04 51.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.472 ' CG ' ' HB3' ' A' ' 79' ' ' GLN . 19.3 ptp180 -153.74 145.5 23.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -83.78 155.79 22.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.796 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 39.7 pt -126.4 174.7 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -164.49 148.92 9.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.53 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 18.1 ttp85 -117.52 101.64 8.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.575 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -130.12 159.93 67.87 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.722 . . . . 0.0 111.068 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 54.1 Cg_endo -69.76 154.59 67.57 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.647 2.232 . . . . 0.0 112.359 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -48.27 106.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.7 m -86.85 81.64 8.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.4 p -173.59 117.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 47.06 -157.47 0.56 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 152.2 69.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.241 . . . . 0.0 112.366 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.5 p -126.33 83.9 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.6 m -163.89 129.17 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.7 p -120.46 88.36 2.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 110.856 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 t -90.23 129.74 36.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.13 112.03 4.13 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -80.07 -60.25 2.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 110.865 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 t -69.59 114.19 7.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.39 162.29 0.28 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -147.47 134.0 19.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.939 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -87.25 117.36 25.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.8 p -110.61 138.1 40.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -142.08 159.61 41.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -157.18 136.49 12.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.9 mmt -41.12 -38.91 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -99.73 167.24 10.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.0 p -130.27 171.13 13.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 17' ' ' ASP . 68.9 m -150.96 170.29 19.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' SER . 14.5 m-20 -34.33 110.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.3 m -96.96 111.39 23.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.565 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 15.6 mm-40 -75.92 145.05 40.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.645 ' C ' ' CE1' ' A' ' 95' ' ' PHE . 94.0 m95 -107.98 124.03 49.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.653 ' CA ' ' CZ ' ' A' ' 95' ' ' PHE . . . -113.85 152.13 18.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.517 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.765 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 14.9 m95 -105.32 133.86 49.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.814 0.34 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.45 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 27.8 m-85 -134.7 136.13 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -115.75 141.42 48.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.533 HD11 ' HA2' ' A' ' 29' ' ' GLY . 32.5 tp -66.89 158.69 30.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.476 ' N ' ' HG ' ' A' ' 25' ' ' LEU . . . -120.03 -177.18 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.65 -36.47 73.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 t -84.27 26.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.533 ' HA2' HD11 ' A' ' 25' ' ' LEU . . . 56.53 38.82 82.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -126.88 127.09 44.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CE3' ' HG2' ' A' ' 91' ' ' LYS . 60.2 m95 -83.68 123.84 30.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -104.65 149.49 25.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.45 ' HA ' ' CD2' ' A' ' 23' ' ' PHE . 18.7 ttt -75.63 127.53 33.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.493 ' HD2' HD13 ' A' ' 49' ' ' ILE . 4.5 m-85 -47.06 133.24 11.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 34' ' ' PHE . 62.3 mm-40 -158.04 151.68 19.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.556 0.693 . . . . 0.0 110.939 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 37' ' ' ASP . 54.1 Cg_endo -69.76 121.55 8.24 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.643 2.228 . . . . 0.0 112.391 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 36' ' ' PRO . 3.5 m-20 -35.68 -50.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.7 p -141.21 122.7 15.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -51.67 -49.51 62.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.6 p -50.68 -61.08 2.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -121.99 79.08 1.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.427 ' HB2' ' CB ' ' A' ' 36' ' ' PRO . 31.3 p -95.28 167.16 11.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.6 t -115.29 -62.33 1.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.8 m -131.71 157.48 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.598 ' O ' HD12 ' A' ' 49' ' ' ILE . 62.6 m -138.18 163.04 32.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 45' ' ' SER . 53.6 p -33.32 -35.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 45' ' ' SER . 14.1 tt0 -71.7 -59.49 2.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -38.96 -49.84 1.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.609 ' H ' HD12 ' A' ' 49' ' ' ILE . 5.3 mp -62.52 -64.83 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' ILE . 38.7 tt0 -37.52 -45.77 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -61.55 -44.38 97.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 49' ' ' ILE . 66.1 m -67.6 -34.4 76.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.487 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 78.6 t80 -71.58 -37.3 71.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -61.76 -59.4 5.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.1 t -61.11 -39.01 88.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -133.08 96.14 17.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.641 0.734 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -19.54 36.1 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 81.7 m -124.1 40.71 3.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.64 165.31 16.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.8 p -111.57 150.98 29.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.349 . . . . 0.0 110.905 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.538 HG23 ' O ' ' A' ' 61' ' ' ILE . 12.0 tt -119.8 103.74 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.2 p -85.02 119.71 25.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 7.3 p90 -145.15 136.7 25.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.1 p -110.53 117.68 34.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.16 -174.56 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 m -64.66 99.82 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.611 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 14.5 tptm 67.34 31.49 6.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.611 ' CD1' ' O ' ' A' ' 67' ' ' LYS . 25.1 m-85 -157.84 157.22 32.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.17 148.75 49.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.582 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 84.5 m-85 -154.51 139.0 16.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 80' ' ' MET . 4.2 ttmt -126.67 126.88 44.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.551 HD11 ' NE2' ' A' ' 79' ' ' GLN . 78.8 mt -117.85 113.08 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.19 118.87 37.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.487 ' CE1' ' HB2' ' A' ' 53' ' ' PHE . 29.4 m-85 -68.92 -53.2 22.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.59 -37.29 39.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -83.49 -15.94 47.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.8 mmt 55.56 45.01 25.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -159.44 149.85 19.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.551 ' NE2' HD11 ' A' ' 72' ' ' ILE . 33.6 tt0 -95.68 109.9 22.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 71' ' ' LYS . 35.0 tpp -85.95 112.2 20.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.609 ' C ' HD22 ' A' ' 82' ' ' LEU . 23.6 t-20 -83.45 144.93 29.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.699 ' N ' HD22 ' A' ' 82' ' ' LEU . 1.5 mm? -115.37 -41.56 3.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.8 t -47.63 -46.98 29.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.6 p -115.69 -25.08 7.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 89.89 26.95 22.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.446 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.0 mmtm -84.91 173.75 10.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.687 0.279 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -137.51 141.79 41.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -155.95 130.53 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.6 mt -63.71 161.53 14.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.765 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 45.6 pt -136.35 149.72 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.568 ' HG2' ' CE3' ' A' ' 31' ' ' TRP . 13.2 pttp -143.65 155.35 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 66.6 ttp85 -120.99 103.1 8.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -125.03 152.61 70.71 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.567 0.699 . . . . 0.0 111.077 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 141.94 46.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.374 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.653 ' CZ ' ' CA ' ' A' ' 21' ' ' GLY . 6.9 m-85 -63.81 162.4 13.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.7 m -110.98 89.5 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.8 t -50.34 98.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -61.18 150.18 44.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 112.27 3.03 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.301 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.9 t -72.63 126.46 29.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 m 62.64 43.29 7.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.0 p -143.94 132.91 22.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.369 . . . . 0.0 110.87 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -131.19 167.7 18.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.19 113.75 3.87 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 p -146.25 137.0 24.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 m -122.01 116.72 24.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.64 113.93 0.95 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -78.78 164.95 24.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -107.32 122.17 46.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.6 t -127.42 98.11 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.9 168.17 12.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -153.66 169.86 22.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.8 tpp -39.33 152.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -86.28 130.25 34.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.3 p -129.26 154.2 47.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.4 m -84.52 -55.52 4.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -78.46 114.26 17.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.1 m -154.68 131.97 11.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.199 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -79.4 126.38 30.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -101.32 116.92 33.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -98.11 151.57 19.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.52 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.833 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 9.9 m95 -107.77 140.11 41.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.769 0.319 . . . . 0.0 110.932 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.402 ' HB2' ' CG ' ' A' ' 91' ' ' LYS . 31.2 m-85 -141.45 150.74 42.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.598 ' CE1' ' NH1' ' A' ' 88' ' ' ARG . 28.0 p90 -137.89 147.58 44.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 31' ' ' TRP . 9.5 tp -75.99 116.33 16.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.71 163.97 19.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -59.38 -39.67 84.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 91.2 m -58.6 -30.74 67.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.95 -39.08 2.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.418 ' HD3' ' N ' ' A' ' 31' ' ' TRP . 3.4 tmtt? -79.78 128.41 33.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.505 ' CE2' ' HB2' ' A' ' 25' ' ' LEU . 24.3 m95 -67.36 132.9 48.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -100.68 129.77 46.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.1 ttt -67.16 128.03 34.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.495 ' HE2' HD13 ' A' ' 72' ' ' ILE . 6.4 m-85 -48.86 121.35 4.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -153.22 160.14 31.32 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 132.79 24.03 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.68 2.254 . . . . 0.0 112.392 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -76.41 -71.97 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.731 HG22 ' H ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -90.09 -172.99 3.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.731 ' H ' HG22 ' A' ' 38' ' ' THR . 2.8 m120 -95.92 -56.34 2.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 42' ' ' CYS . 96.2 p -88.52 140.0 29.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 40' ' ' SER . 10.7 pm0 37.15 28.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' SER . 14.1 p -55.03 -179.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.9 p -68.42 -173.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.845 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.703 HG23 HD11 ' A' ' 49' ' ' ILE . 35.7 m -81.57 152.08 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.146 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.641 ' O ' HD12 ' A' ' 49' ' ' ILE . 8.1 m -111.45 157.58 20.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.793 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 45' ' ' SER . 65.9 p -34.77 -36.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.848 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 45' ' ' SER . 2.8 tp10 -68.71 -62.66 1.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -39.2 -48.21 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.703 HD11 HG23 ' A' ' 44' ' ' VAL . 5.2 mp -62.18 -69.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.456 ' OE2' ' CG ' ' A' ' 54' ' ' LYS . 14.8 tm-20 -38.41 -33.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -68.91 -47.46 65.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' ILE . 22.8 t -68.3 -40.77 81.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 5.0 t80 -71.51 -30.17 65.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.456 ' CG ' ' OE2' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -53.44 -51.89 61.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.9 t -81.2 -30.78 34.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -133.01 87.48 39.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.615 0.722 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.436 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . 53.4 Cg_endo -69.71 -13.99 35.59 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.688 2.259 . . . . 0.0 112.354 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.541 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 96.3 m -122.08 33.33 5.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -105.72 -132.87 7.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.5 p -173.85 172.92 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.828 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.567 HD11 HG11 ' A' ' 44' ' ' VAL . 13.6 tt -152.63 106.84 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.2 t -93.87 135.38 35.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.414 ' CZ ' HG22 ' A' ' 44' ' ' VAL . 54.9 p90 -160.56 175.38 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 66.1 p -143.8 164.08 31.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.8 p -110.09 -69.94 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.2 p -127.68 -68.1 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -123.93 -18.39 5.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.527 ' CD2' ' OG1' ' A' ' 83' ' ' THR . 3.3 m-85 -99.73 153.66 18.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.436 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 18.2 m -115.71 161.82 18.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.835 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.436 ' CD1' ' O ' ' A' ' 69' ' ' SER . 52.2 m-85 -154.02 133.67 12.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.942 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -127.64 110.43 12.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.495 HD13 ' HE2' ' A' ' 34' ' ' PHE . 86.1 mt -88.82 99.23 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.76 117.57 23.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.654 ' CZ ' HG23 ' A' ' 49' ' ' ILE . 23.6 m-85 -78.8 -45.7 20.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 58' ' ' CYS . . . -50.1 -33.17 17.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -97.33 -6.35 34.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.414 ' C ' HG12 ' A' ' 90' ' ' ILE . 76.5 mmm 54.82 49.24 18.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.29 161.63 27.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.91 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.476 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 19.9 tm0? -95.52 109.24 21.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -78.9 113.45 17.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.648 ' C ' HD22 ' A' ' 82' ' ' LEU . 10.8 t-20 -84.87 146.25 27.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.742 ' N ' HD22 ' A' ' 82' ' ' LEU . 1.0 OUTLIER -115.56 -26.23 7.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.767 HG23 HG22 ' A' ' 84' ' ' THR . 7.4 t -68.43 -42.82 78.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.767 HG22 HG23 ' A' ' 83' ' ' THR . 0.6 OUTLIER -124.79 -21.77 4.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 85.06 13.51 71.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.424 ' H ' HG23 ' A' ' 84' ' ' THR . 5.5 mmmm -75.4 127.89 34.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.706 0.289 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -89.44 147.6 23.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.598 ' NH1' ' CE1' ' A' ' 24' ' ' TYR . 4.3 ptp180 -148.31 130.04 15.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 45.2 mt -66.64 147.17 53.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.833 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 28.8 pt -123.62 170.47 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.402 ' CG ' ' HB2' ' A' ' 23' ' ' PHE . 4.8 ptmm? -153.26 155.55 36.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.531 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 37.0 ttp85 -131.19 97.12 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -128.37 151.84 77.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.6 0.714 . . . . 0.0 111.078 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 161.63 45.16 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.41 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.567 ' CE1' ' HA3' ' A' ' 21' ' ' GLY . 23.1 m-85 -80.82 81.21 7.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.4 m -129.06 120.96 26.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.8 p -133.57 91.43 2.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 146.67 122.23 1.38 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 100.74 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.73 2.286 . . . . 0.0 112.31 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 62.8 m 56.11 42.56 28.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.8 m -109.08 -45.04 3.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 -179.937 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -119.77 42.22 2.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.831 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 t -105.57 144.8 31.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.09 178.18 33.85 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.517 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 t -66.25 94.7 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.885 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.0 p -168.37 176.42 5.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.75 136.03 12.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -157.48 117.05 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.774 0.321 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -79.77 121.34 25.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.9 m -89.69 171.82 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -76.88 155.84 32.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 13' ' ' MET . 4.0 p30 -162.0 137.49 7.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.44 ' C ' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER 34.46 41.25 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -142.55 147.87 36.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.1 p -42.49 112.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.3 t -167.8 131.99 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -69.38 94.61 0.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.4 m -87.32 107.54 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -76.04 119.26 19.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -90.22 127.78 36.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -115.83 163.68 12.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.541 ' CD1' ' HB2' ' A' ' 50' ' ' GLU . 11.0 m95 -112.62 158.47 19.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.583 ' CE2' ' HG3' ' A' ' 33' ' ' MET . 32.9 m-85 -148.58 163.18 38.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -144.22 133.92 23.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.718 HD13 ' CE2' ' A' ' 31' ' ' TRP . 19.6 tp -59.77 160.07 7.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.63 -179.02 4.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -69.84 -29.66 66.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 67.2 m -90.69 26.24 2.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.11 37.71 64.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -126.14 127.12 45.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.718 ' CE2' HD13 ' A' ' 25' ' ' LEU . 62.0 m95 -84.39 109.17 17.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -87.39 161.31 17.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.583 ' HG3' ' CE2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -88.79 141.13 28.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.4 ' CD2' ' HB3' ' A' ' 22' ' ' TRP . 9.3 m-85 -67.61 142.06 56.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.476 ' CG ' ' HB2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -133.56 158.85 74.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.587 0.708 . . . . 0.0 110.909 -179.899 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 37' ' ' ASP . 53.7 Cg_endo -69.75 161.49 45.72 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.643 2.228 . . . . 0.0 112.35 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' PRO . 4.4 p30 -37.62 102.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.536 ' O ' ' N ' ' A' ' 42' ' ' CYS . 9.9 m -149.22 149.45 30.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -48.47 -55.9 9.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.5 p -39.23 -74.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.476 ' HB2' ' CG ' ' A' ' 35' ' ' GLN . 63.4 mt-30 -119.65 56.02 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 38' ' ' THR . 16.8 p -33.75 99.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 35' ' ' GLN . 85.2 p -175.19 167.73 3.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.831 HG23 HD11 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -71.45 156.5 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.571 ' O ' HD12 ' A' ' 49' ' ' ILE . 42.6 m -82.93 155.76 23.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.0 p -39.27 -51.44 2.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -43.82 -52.37 6.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.17 -70.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.831 HD11 HG23 ' A' ' 44' ' ' VAL . 5.3 mp -39.76 -46.45 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.541 ' HB2' ' CD1' ' A' ' 22' ' ' TRP . 37.1 tt0 -63.33 -50.85 68.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -52.75 -29.7 28.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.429 ' CB ' HD12 ' A' ' 61' ' ' ILE . 41.6 t -83.82 -30.8 26.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -71.91 -38.81 69.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -50.79 -55.13 18.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.0 t -72.64 -39.78 66.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.153 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -116.36 78.8 8.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.652 0.739 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -29.25 23.93 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.647 2.231 . . . . 0.0 112.37 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.631 ' C ' ' HB2' ' A' ' 75' ' ' ALA . 84.2 m -119.87 38.5 3.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.22 -132.79 3.95 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.513 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.6 p -168.72 145.44 3.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 61' ' ' ILE . 14.4 tt -108.08 118.7 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.6 t -99.47 130.97 45.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 6.5 p90 -154.34 141.86 19.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.8 p -118.4 116.83 27.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' PHE . 77.3 p -90.17 -178.11 5.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.42 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 31.7 t -50.11 119.71 3.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 68' ' ' PHE . 7.5 ptpp? 38.04 38.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' THR . 46.0 m-85 -158.97 141.33 13.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.9 m -125.95 149.91 48.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.586 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 98.6 m-85 -152.08 167.61 27.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -155.0 105.01 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.521 HG23 HD13 ' A' ' 90' ' ' ILE . 36.2 mt -89.42 108.16 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.96 118.25 26.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -80.35 -44.98 18.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.631 ' HB2' ' C ' ' A' ' 58' ' ' CYS . . . -55.77 -39.28 71.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -86.79 -13.37 45.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.7 mmt 60.23 46.97 9.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -158.9 153.82 24.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.487 ' OE1' ' N ' ' A' ' 80' ' ' MET . 2.7 tp60 -95.23 132.55 40.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.487 ' N ' ' OE1' ' A' ' 79' ' ' GLN . 25.1 tpp -97.91 111.34 23.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -86.91 101.47 13.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.8 mt -86.61 -40.07 15.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.0 t -41.58 -43.0 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 69.6 p -116.8 -25.35 7.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.77 33.7 6.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -102.67 173.6 6.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.737 0.303 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -119.44 123.67 44.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 79' ' ' GLN . 35.6 mmt-85 -125.8 158.3 35.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 mp -101.72 167.84 9.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.521 HD13 HG23 ' A' ' 72' ' ' ILE . 20.7 pt -145.04 170.15 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -170.3 151.68 3.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.515 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 34.6 ttp85 -108.88 120.46 42.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -151.8 152.07 29.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 111.081 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 144.52 54.58 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -56.52 155.51 7.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.6 m -121.9 44.72 2.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.4 t -89.0 43.55 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 60.39 -157.92 27.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 177.37 5.63 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.2 p -104.67 122.47 45.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.0 t -160.58 142.56 12.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -170.71 162.14 7.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 m -120.09 88.95 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.9 137.94 41.68 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -166.23 139.48 4.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.926 0.393 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.6 m -81.86 86.55 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.21 -121.57 3.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -57.47 175.62 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 110.942 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -78.46 107.6 11.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 10' ' ' VAL . 33.4 m -86.81 83.31 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.153 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -92.94 128.87 38.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -100.63 105.63 17.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.9 mmt -132.85 120.48 21.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -172.62 177.16 3.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.47 HG23 ' N ' ' A' ' 16' ' ' SER . 10.1 t -130.23 -44.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.47 ' N ' HG23 ' A' ' 15' ' ' THR . 72.2 m -93.59 165.49 12.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 45.8 41.04 7.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.3 m -84.84 107.42 16.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -83.26 126.17 32.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -90.12 108.37 19.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.34 159.37 21.85 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.657 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 12.3 m95 -111.78 141.68 45.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.733 0.302 . . . . 0.0 110.982 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 9.6 m-85 -130.04 168.5 16.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.452 ' HB3' ' CE1' ' A' ' 34' ' ' PHE . 30.3 p90 -155.52 126.72 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.952 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.703 HD12 ' NE1' ' A' ' 31' ' ' TRP . 9.6 tt -72.72 134.11 44.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.78 179.11 4.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -64.82 -19.87 66.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.5 p -87.96 25.26 1.59 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.82 34.69 5.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -131.34 118.19 19.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.332 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.703 ' NE1' HD12 ' A' ' 25' ' ' LEU . 44.5 m95 -74.88 106.75 6.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -91.61 115.86 28.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.551 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 6.8 ttt -58.84 115.98 3.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 24' ' ' TYR . 30.0 m-85 -34.84 144.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -171.09 155.8 4.5 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.565 0.698 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 110.42 2.55 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.685 2.257 . . . . 0.0 112.361 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' THR . 1.4 m-20 -73.86 177.27 5.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' ASP . 74.0 p -38.02 157.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -50.54 -42.8 55.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.0 t -65.89 -39.96 91.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -103.37 33.88 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 t -98.33 96.21 7.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.1 p -111.03 -67.46 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.816 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.1 m -131.79 155.11 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.584 ' O ' HD12 ' A' ' 49' ' ' ILE . 18.7 m -123.69 159.03 30.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.838 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' SER . 89.1 p -34.48 -34.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 45' ' ' SER . 21.1 tp10 -64.24 -62.47 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -41.98 -56.37 2.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.7 ' H ' HD12 ' A' ' 49' ' ' ILE . 5.3 mp -49.93 -40.05 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -71.01 -58.07 3.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.11 -29.71 32.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.8 m -73.65 -50.09 22.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 53' ' ' PHE . 2.1 t80 -62.47 -24.34 67.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -54.05 -56.17 20.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.9 t -72.64 -38.36 67.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -126.77 88.49 54.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.718 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.413 ' HB3' ' CE1' ' A' ' 53' ' ' PHE . 54.3 Cg_endo -69.78 -13.64 34.92 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.647 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 30.2 p -130.1 31.4 4.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -108.27 -143.63 10.66 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.534 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.4 p -153.31 166.05 33.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' A' ' 72' ' ' ILE . 8.6 tt -139.69 113.29 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.15 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.2 p -99.55 132.27 45.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -152.78 174.36 14.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 75.7 p -146.32 136.26 23.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.175 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.46 -75.37 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.9 t -122.72 -66.82 0.99 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.4 tptt -126.13 -9.63 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.515 ' CD2' ' OG1' ' A' ' 83' ' ' THR . 3.1 m-85 -103.74 158.76 16.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.6 m -119.48 157.11 28.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.485 ' HA ' HD23 ' A' ' 82' ' ' LEU . 55.1 m-85 -150.73 135.63 17.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.53 ' CB ' HD21 ' A' ' 82' ' ' LEU . 19.9 tttp -119.47 135.9 54.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.475 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 96.5 mt -123.02 96.93 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.55 116.68 23.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -73.36 -43.48 60.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.647 ' HB2' ' O ' ' A' ' 58' ' ' CYS . . . -48.84 -42.63 36.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -87.15 -5.53 58.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 mmt 54.32 45.17 27.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -160.02 158.97 31.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.479 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 34.9 tt0 -98.04 123.73 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' LYS . 57.4 ttm -96.49 118.45 33.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.6 ' C ' HD22 ' A' ' 82' ' ' LEU . 2.4 m120 -80.31 144.78 32.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.653 ' N ' HD22 ' A' ' 82' ' ' LEU . 1.6 mm? -112.99 -31.21 6.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.654 HG23 HG23 ' A' ' 84' ' ' THR . 7.0 t -68.08 -53.2 27.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.654 HG23 HG23 ' A' ' 83' ' ' THR . 34.0 p -107.8 -24.75 11.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.08 30.36 31.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.533 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.43 ' N ' ' HB2' ' A' ' 81' ' ' ASN . 14.0 mmmt -76.71 174.14 10.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.324 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -135.4 120.9 19.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.479 ' CG ' ' HB3' ' A' ' 79' ' ' GLN . 5.9 ptp180 -125.41 -178.57 4.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.6 mt -120.43 155.46 33.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.657 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 29.8 pt -131.34 160.69 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.416 ' HG2' ' CE3' ' A' ' 31' ' ' TRP . 15.7 pttm -151.82 144.63 24.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.51 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 5.7 ttp-105 -112.26 116.01 29.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.671 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -151.72 162.98 25.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.533 0.682 . . . . 0.0 111.079 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.671 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 53.6 Cg_endo -69.76 153.67 68.65 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -44.67 169.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 45.5 p -110.16 42.14 1.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.2 p 38.63 42.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -40.3 158.2 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 115.76 4.24 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.655 2.237 . . . . 0.0 112.354 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.3 t -98.31 -46.94 5.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.824 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.0 m -78.85 111.44 15.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.481 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -102.59 168.59 9.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 t -90.74 -61.86 1.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.63 95.37 0.17 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 m -78.41 112.99 16.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.909 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.4 p -157.38 123.98 4.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.48 -61.62 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -86.51 94.05 9.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -119.58 101.94 8.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.4 m -139.61 129.71 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -96.72 -176.64 3.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.91 70.45 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.1 mmt -135.64 154.1 51.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -91.76 55.05 2.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.1 p -85.46 -45.23 12.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -103.47 37.89 1.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.9 t0 59.05 46.85 12.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.8 m -45.66 104.68 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.558 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 26.0 mm-40 -75.03 146.31 41.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -108.75 105.97 15.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.47 140.15 14.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.479 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.558 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 8.1 m95 -91.9 146.82 23.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.74 0.305 . . . . 0.0 110.95 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -136.23 167.47 21.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -144.47 138.92 27.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.9 tp -69.59 133.55 47.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.954 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.2 -176.15 4.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.86 -55.12 25.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 72.9 m -56.41 -33.35 65.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.48 42.11 0.65 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.451 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -129.07 142.69 50.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.786 0.326 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.438 ' CE3' ' HG2' ' A' ' 91' ' ' LYS . 65.4 m95 -85.76 118.21 25.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -101.4 161.84 13.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.1 ttt -91.6 118.36 30.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -45.52 127.81 7.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -152.03 157.55 34.13 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.568 0.699 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.406 ' CB ' ' HB2' ' A' ' 42' ' ' CYS . 53.9 Cg_endo -69.81 123.73 10.37 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.31 -71.27 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.585 HG21 ' OG ' ' A' ' 66' ' ' SER . 11.5 t -102.01 -175.74 2.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -90.23 -56.17 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.5 t -55.29 -75.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.467 ' O ' ' C ' ' A' ' 42' ' ' CYS . 6.8 mm100 -90.67 34.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.467 ' C ' ' O ' ' A' ' 41' ' ' GLN . 28.9 p -33.19 135.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.471 ' HA ' ' CG2' ' A' ' 65' ' ' THR . 4.7 p -63.52 -174.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.539 ' CG2' ' HB3' ' A' ' 48' ' ' ASP . 6.4 p -84.87 139.47 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 47' ' ' GLU . 1.2 m -98.8 143.83 28.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.505 ' HA ' HD13 ' A' ' 49' ' ' ILE . 13.7 p -31.98 -35.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 45' ' ' SER . 24.0 tt0 -46.75 -59.33 3.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.539 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 2.4 t0 -58.61 -69.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.539 ' H ' HD12 ' A' ' 49' ' ' ILE . 4.2 mp -33.12 -36.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 48' ' ' ASP . 5.6 tp10 -73.96 -64.21 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.487 ' CG ' ' N ' ' A' ' 52' ' ' SER . 8.9 ptpt -48.84 -47.49 42.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.487 ' N ' ' CG ' ' A' ' 51' ' ' LYS . 8.5 t -58.24 -49.11 78.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.439 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 23.4 t80 -58.26 -43.75 88.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -50.56 -62.71 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 t -66.32 -36.07 81.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.203 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -124.64 79.94 62.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.733 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -21.36 33.69 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.734 2.289 . . . . 0.0 112.337 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.1 p -122.26 33.63 5.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -111.41 -138.71 7.68 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.8 p -168.68 131.23 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.358 . . . . 0.0 110.855 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.651 HG23 ' O ' ' A' ' 61' ' ' ILE . 17.8 tt -101.99 105.49 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.6 p -95.57 125.83 40.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.587 ' CE2' ' HB2' ' A' ' 70' ' ' TYR . 50.0 p90 -139.33 178.95 6.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.0 p -143.54 163.09 34.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.471 ' CG2' ' HA ' ' A' ' 43' ' ' SER . 4.3 p -143.31 -175.26 4.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.585 ' OG ' HG21 ' A' ' 38' ' ' THR . 5.6 m -35.98 102.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.598 ' HE3' ' CE1' ' A' ' 68' ' ' PHE . 8.1 pttt 37.99 46.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.598 ' CE1' ' HE3' ' A' ' 67' ' ' LYS . 21.4 m-85 -152.5 161.05 43.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.406 ' CB ' ' HB2' ' A' ' 82' ' ' LEU . 10.3 t -129.06 150.4 50.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.587 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 82.3 m-85 -154.28 133.4 12.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' MET . 22.7 tttt -127.11 131.18 50.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 81.9 mt -120.95 98.53 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -86.01 109.27 18.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.439 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 24.0 m-85 -60.77 -45.07 95.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.15 -47.22 45.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -83.32 -2.6 56.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.426 ' HA ' HD11 ' A' ' 90' ' ' ILE . 4.1 mmt 45.61 53.01 8.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -159.71 156.7 28.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -96.08 108.74 21.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 71' ' ' LYS . 36.6 tpp -86.16 111.47 20.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.72 ' C ' HD22 ' A' ' 82' ' ' LEU . 19.8 t-20 -82.86 146.31 28.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.724 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -115.83 -46.06 2.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.456 HG23 HG23 ' A' ' 84' ' ' THR . 2.9 t -48.74 -46.94 41.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.456 HG23 HG23 ' A' ' 83' ' ' THR . 45.5 p -112.84 -24.01 9.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.52 21.83 59.46 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.464 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -76.82 172.57 12.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.741 0.305 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -120.48 138.32 53.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -144.47 162.55 36.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.4 ' N ' HD22 ' A' ' 89' ' ' LEU . 3.9 mm? -107.22 164.81 11.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.558 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 34.0 pt -138.93 172.03 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.438 ' HG2' ' CE3' ' A' ' 31' ' ' TRP . 36.6 pttt -171.82 154.27 3.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.517 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 31.8 ttp85 -119.06 129.75 55.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -153.0 158.11 32.94 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.609 0.719 . . . . 0.0 111.118 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.505 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 54.0 Cg_endo -69.79 143.07 49.53 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.626 ' C ' ' CD1' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -125.09 129.43 50.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.2 m -148.98 168.78 22.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.2 t -108.35 -46.86 3.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 171.15 146.17 5.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.529 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -9.04 25.13 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.376 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.1 m -119.47 167.12 12.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t 70.68 40.6 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.3 p -54.45 -45.16 73.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.388 . . . . 0.0 110.827 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.2 p 41.36 42.17 1.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.02 -122.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t 60.45 42.44 14.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.373 . . . . 0.0 110.849 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 p -160.66 155.51 24.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.28 -118.12 6.08 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.546 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' GLU . 24.7 m120 -159.8 170.02 22.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' ASN . 2.8 pm0 -35.68 138.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.4 m -95.58 -27.47 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -53.99 138.97 35.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -108.12 161.7 14.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.423 ' HG3' ' N ' ' A' ' 14' ' ' ASP . 6.4 ptp -79.32 -36.85 38.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 13' ' ' MET . 10.6 t0 -116.48 109.94 17.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.3 p -136.18 153.01 51.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.3 t -116.52 -54.55 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.833 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.32 78.92 7.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.6 m -118.24 115.82 25.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -76.06 136.22 39.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -102.46 123.01 45.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.41 176.39 18.91 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.789 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 14.2 m95 -121.05 141.88 50.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.787 0.327 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 58.6 m-85 -132.18 156.04 47.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.437 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 37.5 p90 -137.3 129.27 29.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.5 tp -62.34 150.91 38.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -109.23 171.59 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -63.5 -44.19 95.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.2 m -62.35 -31.51 72.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.62 38.61 0.97 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -134.68 129.88 35.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 110.839 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -81.23 112.79 18.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -104.98 136.83 43.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.653 ' CE ' ' CE2' ' A' ' 95' ' ' PHE . 2.9 tpt -64.26 150.41 46.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.468 ' CZ ' HD13 ' A' ' 49' ' ' ILE . 24.1 m-85 -66.42 170.68 5.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.457 ' HB2' ' CB ' ' A' ' 41' ' ' GLN . 84.3 mm-40 -153.54 156.76 32.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.515 ' O ' ' N ' ' A' ' 38' ' ' THR . 54.1 Cg_endo -69.71 157.79 59.25 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.344 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 43' ' ' SER . 5.8 p-10 -52.01 84.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.515 ' N ' ' O ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -129.53 158.67 38.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -49.91 -53.09 28.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.8 m -56.07 -70.5 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.457 ' CB ' ' HB2' ' A' ' 35' ' ' GLN . 40.1 mt-30 -109.46 59.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' A' ' 38' ' ' THR . 15.7 p -50.8 94.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 37' ' ' ASP . 2.0 m -174.85 -179.75 1.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.803 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.628 HG13 ' CE2' ' A' ' 63' ' ' PHE . 33.9 m -83.57 147.85 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 m -80.11 153.99 28.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.9 p -42.35 -35.34 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -56.61 -63.29 1.25 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -43.89 -71.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.468 HD13 ' CZ ' ' A' ' 34' ' ' PHE . 14.7 mt -39.05 -56.91 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' LYS . 33.7 tt0 -48.79 -58.21 5.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLU . 11.1 ttpt -36.48 -38.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.436 ' OG ' HD12 ' A' ' 61' ' ' ILE . 49.2 m -78.06 -46.6 20.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 62.3 t80 -56.5 -40.63 75.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -51.39 -58.12 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.3 t -69.91 -38.77 76.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -130.85 91.94 35.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.669 0.747 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -10.76 29.32 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.715 2.276 . . . . 0.0 112.342 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.426 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 91.4 m -133.33 40.21 3.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.27 -158.56 11.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 25.5 p -144.45 149.17 35.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.368 . . . . 0.0 110.825 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.622 HG23 ' O ' ' A' ' 61' ' ' ILE . 16.9 tt -122.27 110.32 26.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.2 p -95.21 112.61 24.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.628 ' CE2' HG13 ' A' ' 44' ' ' VAL . 53.0 p90 -139.17 -179.72 6.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 71.1 p -139.5 167.26 22.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 30.7 p -132.89 -48.62 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 68' ' ' PHE . 80.9 p -158.13 107.92 2.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.587 ' HE2' ' CE1' ' A' ' 68' ' ' PHE . 4.2 pttm 38.19 27.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.587 ' CE1' ' HE2' ' A' ' 67' ' ' LYS . 17.6 m-85 -139.56 173.65 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 m -136.23 146.9 47.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.459 ' HA ' HD23 ' A' ' 82' ' ' LEU . 84.6 m-85 -140.95 136.75 32.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -124.34 125.17 43.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 91.8 mt -115.99 105.18 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.02 114.98 26.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.482 ' CD1' ' CH2' ' A' ' 22' ' ' TRP . 23.7 m-85 -69.41 -51.98 31.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . . . -46.58 -39.72 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -82.74 -19.06 38.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.436 ' C ' HG12 ' A' ' 90' ' ' ILE . 8.6 mmt 61.65 47.0 6.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.419 ' N ' HG12 ' A' ' 90' ' ' ILE . 7.5 ptpp? -162.42 152.98 17.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -95.08 117.76 30.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 59.5 ttm -94.18 109.69 21.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.637 ' C ' HD22 ' A' ' 82' ' ' LEU . 2.7 m-20 -79.43 145.11 33.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.666 ' N ' HD22 ' A' ' 82' ' ' LEU . 1.3 mm? -113.44 -36.97 4.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.622 HG23 HG23 ' A' ' 84' ' ' THR . 5.2 t -62.27 -46.36 89.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.622 HG23 HG23 ' A' ' 83' ' ' THR . 62.4 p -108.59 -25.92 10.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 85.0 28.83 30.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.538 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -91.22 175.39 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -144.01 146.57 32.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -157.21 121.97 4.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.3 mt -53.81 155.11 3.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.789 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 26.1 pt -129.26 157.63 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.417 ' NZ ' ' HB2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -149.66 138.9 21.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.4 ttp85 -99.49 111.81 24.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.605 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -138.49 160.78 62.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.537 0.684 . . . . 0.0 111.128 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.605 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 53.3 Cg_endo -69.78 170.16 17.24 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.653 ' CE2' ' CE ' ' A' ' 33' ' ' MET . 74.7 m-85 -78.19 98.91 6.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.8 m -81.51 105.03 12.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.5 m -139.44 168.14 20.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.87 -159.4 21.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 99.53 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.72 2.28 . . . . 0.0 112.358 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.9 m -100.77 119.75 39.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.5 t -73.08 90.71 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.0 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.691 0.281 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -87.84 127.63 35.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -90.0 130.48 36.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.562 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -107.9 151.39 16.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.465 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 22.1 m95 -107.91 141.33 39.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.857 0.361 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -136.16 162.23 33.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -143.88 131.02 20.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.5 tp -64.37 144.52 57.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.5 -175.39 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -78.4 -33.92 48.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.9 m -70.14 -30.81 68.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.81 34.53 1.68 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -135.45 118.06 15.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.328 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -66.91 115.52 6.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -101.68 137.69 39.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.422 ' HB3' ' NE2' ' A' ' 35' ' ' GLN . 1.6 tmt? -73.94 154.05 39.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.595 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 79.8 m-85 -77.13 109.06 10.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.422 ' NE2' ' HB3' ' A' ' 33' ' ' MET . 20.8 mp0 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.619 0.723 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.837 0.351 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.65 151.89 28.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.0 p -49.2 -19.28 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -77.83 -48.69 15.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -62.88 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.595 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 41.0 mt -47.08 -57.43 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -52.09 -56.64 13.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -38.86 -39.02 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.692 ' OG ' HD12 ' A' ' 61' ' ' ILE . 66.9 m -71.11 -64.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.434 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 5.2 t80 -38.22 -32.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -58.16 -65.13 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.9 t -64.71 -38.57 91.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.455 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 25.5 p-10 -125.57 82.19 63.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -15.31 36.91 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.279 . . . . 0.0 112.315 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.5 p -127.99 41.6 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.5 -142.27 5.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.505 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.5 p -159.88 142.26 13.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.351 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.692 HD12 ' OG ' ' A' ' 52' ' ' SER . 15.7 tt -107.56 106.94 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.2 p -86.06 126.4 34.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.492 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 23.4 p90 -150.01 157.35 43.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.453 HG22 ' OG ' ' A' ' 69' ' ' SER . 24.1 p -125.99 125.54 42.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.178 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.0 t -152.42 169.18 23.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.417 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 3.7 t 47.49 52.85 11.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.422 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 6.7 ptpp? 41.89 37.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.467 ' CD1' ' OG1' ' A' ' 83' ' ' THR . 47.9 m-85 -159.0 150.68 20.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.453 ' OG ' HG22 ' A' ' 64' ' ' THR . 58.5 m -93.52 142.97 26.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.539 ' CE1' ' OD1' ' A' ' 81' ' ' ASN . 57.5 m-85 -140.06 146.16 38.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.423 ' NZ ' ' OD1' ' A' ' 73' ' ' ASP . 29.2 tttm -132.9 139.35 47.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 74.9 mt -124.43 107.51 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.423 ' OD1' ' NZ ' ' A' ' 71' ' ' LYS . 7.1 m-20 -94.17 99.62 11.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -60.45 -45.83 92.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.11 -40.15 60.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.96 -11.95 59.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.2 mmt 62.43 39.03 12.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.764 ' HB3' HD13 ' A' ' 89' ' ' LEU . 4.9 pttm -162.33 163.49 27.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -98.68 130.86 45.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 43.1 ttm -102.05 116.16 32.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.648 ' C ' HD22 ' A' ' 82' ' ' LEU . 10.8 t-20 -90.98 149.77 21.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.847 HD22 ' N ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -122.33 -26.58 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.592 HG23 ' N ' ' A' ' 84' ' ' THR . 7.1 t -68.87 -52.83 25.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.592 ' N ' HG23 ' A' ' 83' ' ' THR . 71.9 p -110.75 -20.41 12.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.61 31.11 51.34 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.442 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -87.98 131.24 34.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -90.46 135.38 33.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -147.24 121.97 9.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.764 HD13 ' HB3' ' A' ' 78' ' ' LYS . 4.2 mm? -76.1 144.78 40.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.3 pt -111.87 -176.75 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.1 pttm -171.62 144.5 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 38.6 ttp85 -111.0 126.21 54.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -156.81 151.97 21.52 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.563 0.697 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 152.48 69.38 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.657 2.238 . . . . 0.0 112.377 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.562 ' CE1' ' HA3' ' A' ' 21' ' ' GLY . 29.3 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.8 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.748 0.308 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -89.33 134.89 33.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -112.03 121.99 46.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.483 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -114.7 156.4 15.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.413 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 9.3 m95 -108.42 134.5 51.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.823 0.344 . . . . 0.0 110.922 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.402 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 81.3 m-85 -130.9 136.91 49.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -121.52 139.28 53.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.986 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.87 143.32 57.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.514 ' HB2' ' CD2' ' A' ' 32' ' ' HIS . . . -108.22 168.31 9.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -64.06 -38.82 92.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 74.3 m -57.4 -29.01 63.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.57 -36.2 2.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -81.98 156.13 24.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.778 0.323 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -91.65 143.41 26.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.514 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 85.5 m-70 -114.4 148.35 37.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.591 ' CE ' ' CE1' ' A' ' 95' ' ' PHE . 3.4 ttt -74.7 130.0 38.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.523 ' HD2' HD13 ' A' ' 49' ' ' ILE . 4.0 m-85 -45.06 122.17 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.562 0.696 . . . . 0.0 110.94 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.6 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.821 0.344 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.677 ' O ' HD12 ' A' ' 49' ' ' ILE . 29.4 m -137.17 168.36 19.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.2 p -41.05 -24.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' SER . 14.5 tt0 -82.12 -53.38 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -47.61 -51.57 20.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.677 HD12 ' O ' ' A' ' 45' ' ' SER . 5.3 mp -57.51 -69.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' A' ' 51' ' ' LYS . 9.3 tm-20 -35.85 -48.11 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.461 ' N ' ' OE1' ' A' ' 50' ' ' GLU . 24.0 tttp -62.99 -42.35 99.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 49' ' ' ILE . 17.2 t -65.78 -50.67 63.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.408 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 44.4 t80 -52.26 -40.43 61.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -56.63 -49.61 74.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.8 m -58.91 -53.13 61.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.407 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 26.3 t30 -130.74 90.71 39.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.711 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 56' ' ' ASN . 53.7 Cg_endo -69.78 -0.63 7.2 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.35 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.57 ' C ' ' HB2' ' A' ' 75' ' ' ALA . 96.6 m -131.49 29.78 4.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -115.46 -149.63 9.58 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.537 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.6 p -154.53 141.16 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.84 0.352 . . . . 0.0 110.85 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.544 ' O ' HG23 ' A' ' 61' ' ' ILE . 12.9 tt -114.9 111.2 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.6 p -92.54 128.26 38.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 10.1 p90 -151.27 133.19 15.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 48.7 p -118.58 123.61 45.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 71.4 p -92.52 158.95 15.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.6 t -53.87 -15.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -90.33 -55.62 3.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.532 ' CD1' ' OG1' ' A' ' 83' ' ' THR . 59.4 m-85 -158.99 176.85 11.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 0.7 OUTLIER -95.38 152.01 18.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.797 -179.753 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.578 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 38.5 m-85 -153.64 140.7 19.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.941 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' MET . 28.0 tttm -130.16 124.02 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.476 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 53.7 mt -108.98 104.56 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.414 ' OD1' ' CG ' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -88.69 98.72 11.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.408 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 19.3 m-85 -53.26 -44.91 68.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.57 ' HB2' ' C ' ' A' ' 58' ' ' CYS . . . -59.07 -45.28 91.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -80.3 -6.62 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.1 mmt 48.92 51.64 15.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.414 ' CG ' ' OD1' ' A' ' 73' ' ' ASP . 8.0 ptpp? -161.51 163.24 30.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.442 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 42.8 tt0 -106.83 103.57 13.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 71' ' ' LYS . 28.7 tpp -79.4 122.49 26.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.551 ' C ' HD22 ' A' ' 82' ' ' LEU . 39.6 t-20 -86.26 143.99 27.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.761 HD22 ' N ' ' A' ' 82' ' ' LEU . 0.8 OUTLIER -112.86 -42.18 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.532 ' OG1' ' CD1' ' A' ' 68' ' ' PHE . 2.6 t -55.76 -44.67 77.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.198 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.7 p -111.17 -18.72 12.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.9 17.13 77.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.429 ' N ' ' HB3' ' A' ' 81' ' ' ASN . 27.0 mmmt -81.55 171.06 15.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.08 141.84 50.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.442 ' CG ' ' HB3' ' A' ' 79' ' ' GLN . 11.7 ptp180 -143.78 162.87 34.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -99.34 152.87 19.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.4 pt -127.76 175.39 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -161.45 146.12 13.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 52.3 ttp85 -116.79 110.92 19.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -144.2 154.91 58.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.568 0.699 . . . . 0.0 111.066 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 146.03 58.79 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.591 ' CE1' ' CE ' ' A' ' 33' ' ' MET . 19.5 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.462 ' O ' ' CD1' ' A' ' 20' ' ' TRP . 3.2 t . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.696 0.284 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 50.2 mt-30 -74.22 119.34 18.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.462 ' CD1' ' O ' ' A' ' 18' ' ' THR . 86.8 m95 -118.04 125.88 51.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -128.11 156.26 20.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.491 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 11.1 m95 -96.72 144.92 26.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.779 0.323 . . . . 0.0 110.916 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.538 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 37.0 m-85 -132.97 158.82 41.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.827 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 32' ' ' HIS . 27.2 p90 -145.94 123.77 11.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.426 HD13 ' CE2' ' A' ' 31' ' ' TRP . 25.6 tp -51.82 158.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.403 ' N ' ' HG ' ' A' ' 25' ' ' LEU . . . -134.96 158.13 45.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.072 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -55.03 -39.33 69.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 p -56.55 -32.15 64.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.47 -40.39 1.93 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.495 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -82.28 139.7 34.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.739 0.304 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.426 ' CE2' HD13 ' A' ' 25' ' ' LEU . 29.2 m95 -72.83 151.66 41.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 42.7 m-70 -119.61 124.5 46.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.538 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 6.7 ttt -73.95 122.98 23.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.491 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 42.2 m-85 -42.83 119.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.576 0.703 . . . . 0.0 110.876 -179.863 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.683 HG23 HD11 ' A' ' 49' ' ' ILE . 34.5 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.867 0.365 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.632 ' O ' HD12 ' A' ' 49' ' ' ILE . 24.7 m -84.12 162.0 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.6 p -45.71 -32.31 2.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -64.4 -50.35 67.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -53.39 -48.85 68.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.683 HD11 HG23 ' A' ' 44' ' ' VAL . 5.4 mp -66.43 -65.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -40.65 -39.48 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -63.12 -43.37 98.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.9 m -71.4 -48.43 49.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -43.17 -37.49 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -60.45 -62.26 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.6 m -47.94 -60.36 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.417 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 39.0 p-10 -125.26 86.58 56.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.727 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -15.25 36.9 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.528 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 36.3 t -118.07 35.2 4.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.58 -131.82 3.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.4 p -163.13 167.07 22.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.438 ' CG2' ' HB ' ' A' ' 72' ' ' ILE . 11.0 tt -128.38 118.9 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 96.5 p -102.02 140.26 36.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -165.89 177.43 7.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.2 p -141.64 150.33 41.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.185 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 49.4 p -130.26 -67.8 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 68' ' ' PHE . 75.1 m -117.13 96.25 5.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.484 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 0.3 OUTLIER 32.64 35.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.507 ' N ' ' O ' ' A' ' 66' ' ' SER . 21.2 m-85 -145.6 168.91 19.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.7 m -127.38 154.17 45.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -145.98 127.44 15.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.465 ' HB3' HD21 ' A' ' 82' ' ' LEU . 30.1 tttt -113.83 100.35 8.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.438 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 86.0 mt -89.36 106.75 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.136 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -85.8 133.76 33.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.433 ' CZ ' HG23 ' A' ' 49' ' ' ILE . 21.8 m-85 -91.13 -46.29 8.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.528 ' HB2' ' HA ' ' A' ' 58' ' ' CYS . . . -57.43 -39.51 76.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -83.47 -8.77 59.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.8 mmt 54.15 47.22 23.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -160.5 158.73 29.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -98.71 117.42 33.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 38.5 tpp -89.63 112.24 23.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.545 ' C ' HD22 ' A' ' 82' ' ' LEU . 15.9 t-20 -83.68 143.24 30.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.68 HD22 ' N ' ' A' ' 82' ' ' LEU . 1.6 mm? -115.15 -41.84 3.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.442 ' OG1' ' CD1' ' A' ' 68' ' ' PHE . 2.8 t -59.99 -44.36 94.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.4 p -107.43 -25.68 11.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.62 6.76 85.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.457 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -75.38 171.08 14.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -126.44 151.65 47.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 33.0 mtm180 -144.37 170.95 15.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -108.6 158.64 17.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.446 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 30.0 pt -143.09 145.75 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -148.35 154.66 40.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 20.1 ttp85 -115.88 101.29 8.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -128.06 154.51 78.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 152.15 69.19 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.641 2.228 . . . . 0.0 112.364 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 19' ' ' GLN . 20.5 p90 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.6 m . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.775 0.322 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -92.32 139.58 30.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -109.65 119.78 40.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.75 163.11 14.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.633 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 10.9 m95 -112.93 153.81 27.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.798 0.332 . . . . 0.0 110.921 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 22' ' ' TRP . 15.9 m-85 -145.49 156.46 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -137.76 142.54 40.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.431 ' HB2' ' CZ2' ' A' ' 31' ' ' TRP . 39.3 tp -72.07 136.08 46.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.71 158.99 16.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -57.27 -35.49 69.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -59.65 -30.11 68.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.29 -40.56 1.96 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.499 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -79.85 144.17 33.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.32 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.431 ' CZ2' ' HB2' ' A' ' 25' ' ' LEU . 25.5 m95 -84.05 138.7 32.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -119.12 123.23 43.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.4 ttt -52.75 154.53 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.811 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.528 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 20.2 m-85 -70.08 135.43 49.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.57 0.7 . . . . 0.0 110.931 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.821 HG23 HD11 ' A' ' 49' ' ' ILE . 26.7 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.879 0.371 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.745 ' O ' HD12 ' A' ' 49' ' ' ILE . 15.0 m -90.26 158.87 16.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.1 p -38.79 -43.82 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -54.97 -57.46 11.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -51.36 -51.91 50.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.821 HD11 HG23 ' A' ' 44' ' ' VAL . 5.0 mp -55.7 -62.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.486 ' OE2' ' CG ' ' A' ' 54' ' ' LYS . 13.9 tm-20 -48.81 -55.85 10.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -42.93 -41.96 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.2 m -72.35 -59.68 2.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -42.29 -28.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.486 ' CG ' ' OE2' ' A' ' 50' ' ' GLU . 35.3 mtmt -64.26 -62.93 1.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 56' ' ' ASN . 4.5 t -62.35 -44.46 96.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 23.3 p-10 -119.52 81.43 23.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -16.85 37.89 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.724 2.283 . . . . 0.0 112.339 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 68.4 m -125.53 36.75 4.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.99 -140.39 5.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.2 p -162.3 141.07 9.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.833 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.559 ' O ' HG23 ' A' ' 61' ' ' ILE . 11.5 tt -102.63 102.65 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 83.2 p -87.0 123.49 32.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 13.3 p90 -146.99 138.02 23.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.6 p -117.69 118.63 32.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.175 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.8 p -86.0 -174.8 5.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.187 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 68' ' ' PHE . 2.7 t -45.03 116.72 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' SER . 11.5 ptpt 38.0 28.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 66' ' ' SER . 4.7 m-85 -136.44 164.63 27.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.1 m -136.18 145.07 45.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.562 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 89.7 m-85 -154.28 133.54 12.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.519 ' HB3' HD21 ' A' ' 82' ' ' LEU . 20.5 tttp -127.98 108.8 10.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.452 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 92.0 mt -98.72 98.57 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -84.74 128.19 34.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -84.4 -46.42 11.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.33 -44.87 54.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -82.8 -2.69 55.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.6 mmt 47.27 47.46 16.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -153.75 161.5 42.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.461 ' NE2' ' OD1' ' A' ' 81' ' ' ASN . 15.6 tt0 -100.18 116.44 32.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.474 ' HA ' ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -92.37 106.52 18.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.563 ' C ' HD22 ' A' ' 82' ' ' LEU . 2.5 m120 -87.95 132.43 34.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.782 HD22 ' N ' ' A' ' 82' ' ' LEU . 0.7 OUTLIER -109.17 -39.9 5.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.919 HG23 HG23 ' A' ' 84' ' ' THR . 5.5 t -44.94 -44.34 9.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.156 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.919 HG23 HG23 ' A' ' 83' ' ' THR . 6.8 p -112.96 -25.25 9.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.89 30.67 20.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -96.11 174.0 7.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.694 0.283 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -123.68 127.47 48.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -128.5 177.39 7.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.2 mt -119.59 166.4 13.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.633 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 26.7 pt -144.99 174.57 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -171.46 155.13 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.1 ttp85 -117.83 128.33 54.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.445 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -161.34 156.35 20.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 0.0 111.069 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.445 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 54.0 Cg_endo -69.73 161.69 44.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.258 . . . . 0.0 112.357 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.9 m . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.731 0.3 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -103.47 130.37 50.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -98.49 125.03 43.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.561 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -107.28 158.23 15.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.508 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.531 ' CZ2' ' HD3' ' A' ' 92' ' ' ARG . 12.5 m95 -110.32 160.75 16.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 22' ' ' TRP . 47.1 m-85 -156.09 159.15 38.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.446 ' CD1' ' O ' ' A' ' 24' ' ' TYR . 14.5 p90 -144.94 124.84 13.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.9 tp -48.27 140.66 7.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -109.75 175.74 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -75.81 -17.62 59.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.3 m -78.23 0.56 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.9 -44.69 1.78 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -82.26 172.15 13.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.79 0.329 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -97.39 149.58 21.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -125.78 127.69 46.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.3 ttt -56.02 140.66 42.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CD2' ' HB3' ' A' ' 22' ' ' TRP . 16.6 m-85 -58.79 136.79 57.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.6 0.714 . . . . 0.0 110.919 -179.938 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.573 HG23 HD11 ' A' ' 49' ' ' ILE . 16.7 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.838 0.352 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.552 ' O ' HD12 ' A' ' 49' ' ' ILE . 14.1 m -81.98 157.22 24.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 45' ' ' SER . 31.1 p -35.23 -38.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -60.39 -57.52 12.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.61 -65.59 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.769 ' H ' HD12 ' A' ' 49' ' ' ILE . 5.1 mp -42.79 -56.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -54.41 -44.32 72.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -57.34 -30.28 64.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.0 t -76.15 -63.84 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 57' ' ' PRO . 7.4 t80 -45.83 -25.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -53.25 -51.14 63.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.411 ' CG2' ' N ' ' A' ' 56' ' ' ASN . 1.4 t -85.78 -39.04 17.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.436 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 22.9 p-10 -122.38 81.46 46.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.602 0.715 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 53' ' ' PHE . 54.1 Cg_endo -69.71 -21.05 34.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.236 . . . . 0.0 112.364 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.573 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 3.0 t -119.13 34.43 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -116.72 -133.29 5.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.5 p -164.4 147.55 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.868 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.533 ' O ' HG23 ' A' ' 61' ' ' ILE . 17.1 tt -114.82 115.34 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.6 p -100.09 115.22 29.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 70' ' ' TYR . 39.0 p90 -132.36 160.66 35.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.0 p -129.16 155.92 44.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 66' ' ' SER . 36.5 p -141.58 -175.01 4.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.096 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.484 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 58.0 m -33.39 99.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.587 ' HE2' ' CE1' ' A' ' 68' ' ' PHE . 2.1 pttm 37.11 48.73 0.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.587 ' CE1' ' HE2' ' A' ' 67' ' ' LYS . 18.2 m-85 -149.19 163.72 36.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.8 m -136.27 146.22 46.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 98.1 m-85 -152.25 137.55 17.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.3 tttt -129.79 106.44 8.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.61 HG23 HD13 ' A' ' 90' ' ' ILE . 91.1 mt -93.78 97.41 7.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -80.83 112.94 18.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -70.43 -48.96 53.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 58' ' ' CYS . . . -51.14 -35.67 36.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -95.09 -3.37 48.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.4 mmt 46.84 53.23 10.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -158.29 148.74 20.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.459 ' NE2' HH21 ' A' ' 88' ' ' ARG . 43.9 tt0 -95.12 103.61 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 49.1 tpp -78.14 113.25 15.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.676 ' C ' HD22 ' A' ' 82' ' ' LEU . 21.6 t30 -85.96 140.51 30.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.785 HD22 ' N ' ' A' ' 82' ' ' LEU . 0.6 OUTLIER -114.57 -48.4 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.473 HG23 HG23 ' A' ' 84' ' ' THR . 1.4 t -39.82 -43.02 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.473 HG23 HG23 ' A' ' 83' ' ' THR . 23.2 p -116.57 -24.2 7.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.78 20.05 41.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -87.72 170.17 11.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 -122.74 154.32 38.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.459 HH21 ' NE2' ' A' ' 79' ' ' GLN . 36.1 mtm180 -155.07 161.12 41.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 89' ' ' LEU . 3.5 mm? -101.49 155.64 17.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.61 HD13 HG23 ' A' ' 72' ' ' ILE . 16.4 pt -131.42 158.63 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.465 ' CG ' ' HB2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -148.89 152.84 37.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.531 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 18.0 ttp85 -121.09 106.53 11.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -133.31 152.66 79.78 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.614 0.721 . . . . 0.0 111.089 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 145.94 58.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.561 ' CE1' ' HA3' ' A' ' 21' ' ' GLY . 28.1 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.1 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.755 0.312 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.409 ' CD ' ' HB2' ' A' ' 95' ' ' PHE . 28.6 pt20 -76.03 132.6 40.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -107.72 120.02 41.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -109.14 171.61 15.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.617 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 8.8 m95 -123.31 152.14 41.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.839 0.352 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 22' ' ' TRP . 15.8 m-85 -141.62 154.21 45.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.464 ' CD2' ' O ' ' A' ' 32' ' ' HIS . 45.1 p90 -137.11 124.55 22.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.7 tp -50.16 154.37 1.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . -118.61 146.66 44.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -50.37 -34.53 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 73.6 m -67.34 -26.34 66.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.38 -40.73 1.81 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.686 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -78.97 133.75 36.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.736 0.303 . . . . 0.0 110.936 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 22.2 m95 -74.35 149.02 40.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 72.4 m-70 -128.24 127.3 42.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.404 ' HE1' ' CE2' ' A' ' 95' ' ' PHE . 7.2 ttp -62.32 142.91 57.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.588 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 60.1 m-85 -55.68 165.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.608 0.718 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.806 0.336 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.2 m -81.19 166.85 20.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.83 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 p -43.44 -35.18 1.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -68.68 -61.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.57 -42.15 7.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 19.0 mt -66.09 -63.7 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.422 ' HB2' ' CD1' ' A' ' 22' ' ' TRP . 13.0 tm-20 -40.36 -42.28 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -63.52 -52.0 63.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.1 t -55.11 -38.01 67.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -63.94 -40.13 95.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -52.2 -64.15 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.506 HG23 ' N ' ' A' ' 56' ' ' ASN . 7.3 t -62.92 -47.38 83.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.506 ' N ' HG23 ' A' ' 55' ' ' THR . 2.8 m120 -117.82 84.52 20.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.673 0.749 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -9.07 25.2 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.667 2.244 . . . . 0.0 112.337 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.5 p -122.67 -22.38 5.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.75 174.41 39.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.435 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.52 153.17 44.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 110.856 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.701 ' O ' HG23 ' A' ' 61' ' ' ILE . 17.2 tt -106.67 106.59 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.8 p -90.3 116.75 28.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 52.6 p90 -133.38 172.48 12.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.1 p -145.56 137.81 25.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.2 t -175.34 133.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.49 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 1.3 t 74.99 55.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.485 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 8.2 ptmt 34.62 34.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.49 ' CD2' ' O ' ' A' ' 66' ' ' SER . 31.7 m-85 -151.09 119.15 6.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.4 m -80.36 157.54 26.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.565 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 60.9 m-85 -153.82 136.71 15.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.496 ' HB3' HD21 ' A' ' 82' ' ' LEU . 31.2 tttt -126.89 126.39 43.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.4 mt -112.45 111.07 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -90.81 134.47 34.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -89.66 -47.1 8.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.62 -56.99 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -71.69 -4.33 26.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.431 ' C ' HG12 ' A' ' 90' ' ' ILE . 3.5 mmt 50.65 48.61 22.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -155.93 161.59 40.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -99.99 121.59 41.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.469 ' N ' ' O ' ' A' ' 71' ' ' LYS . 40.0 tpp -94.24 116.47 28.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.756 ' C ' HD22 ' A' ' 82' ' ' LEU . 2.5 m120 -87.63 145.22 26.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.756 HD22 ' C ' ' A' ' 81' ' ' ASN . 0.6 OUTLIER -115.22 -37.71 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.674 HG23 HG23 ' A' ' 84' ' ' THR . 5.1 t -61.1 -50.0 75.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.674 HG23 HG23 ' A' ' 83' ' ' THR . 31.0 p -108.62 -25.87 10.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.33 22.34 54.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -76.98 173.83 11.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.748 0.309 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -135.99 140.56 44.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -154.26 133.86 12.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.9 mp -70.39 165.99 21.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.617 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 20.1 pt -137.75 166.08 25.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.3 pttt -159.38 148.49 18.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.919 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.8 ttp85 -110.77 114.83 28.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -146.43 154.24 48.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.529 0.68 . . . . 0.0 111.102 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 145.02 55.99 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.345 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.409 ' HB2' ' CD ' ' A' ' 19' ' ' GLN . 24.3 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.761 0.315 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -86.26 130.44 34.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -93.03 120.86 33.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -108.06 168.54 13.86 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -120.77 129.36 53.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.755 0.312 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -123.46 147.47 47.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 32' ' ' HIS . 33.9 p90 -128.82 131.07 47.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.833 HD12 ' CE2' ' A' ' 31' ' ' TRP . 10.2 tt -72.52 123.63 23.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.589 ' O ' HD23 ' A' ' 25' ' ' LEU . . . -78.1 156.84 29.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.071 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -53.63 -35.67 61.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 m -65.74 -33.48 75.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.14 33.38 1.25 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -131.98 123.21 26.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.771 0.319 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.833 ' CE2' HD12 ' A' ' 25' ' ' LEU . 59.2 m95 -77.74 110.13 12.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.403 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 88.6 m-70 -108.11 128.94 55.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.841 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.0 ttt -57.66 154.3 11.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.474 ' CD1' HD11 ' A' ' 49' ' ' ILE . 16.8 m-85 -75.29 120.55 20.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.557 0.694 . . . . 0.0 110.912 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.836 0.35 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.3 m -84.52 160.07 20.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.7 p -44.01 -28.42 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 48' ' ' ASP . 31.9 tt0 -63.64 -70.36 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' GLU . 6.4 t0 -36.82 -57.94 0.78 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.474 HD11 ' CD1' ' A' ' 34' ' ' PHE . 20.1 mt -50.78 -62.4 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -45.91 -43.65 13.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -59.07 -47.24 85.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.9 m -65.43 -33.27 75.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 53' ' ' PHE . 5.1 t80 -74.86 -34.94 62.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -60.53 -55.86 28.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -54.02 -35.58 62.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.411 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 31.2 t30 -151.41 105.0 2.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.647 0.737 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 56' ' ' ASN . 54.0 Cg_endo -69.76 -18.09 37.19 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.337 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.533 ' C ' ' HB2' ' A' ' 75' ' ' ALA . 30.0 p -115.69 40.35 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.55 -152.28 9.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.533 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.5 p -155.53 143.19 19.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.705 ' O ' HG23 ' A' ' 61' ' ' ILE . 18.3 tt -108.19 100.8 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.2 p -85.49 118.48 25.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 12.0 p90 -145.79 134.25 21.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.5 p -116.0 128.72 55.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.2 p -97.98 -175.22 3.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 68' ' ' PHE . 13.8 t -42.65 119.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER 34.04 32.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.509 ' N ' ' O ' ' A' ' 66' ' ' SER . 5.4 m-85 -142.81 161.79 37.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 82' ' ' LEU . 12.0 m -135.49 147.36 48.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.574 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 92.8 m-85 -154.38 131.6 11.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.449 ' HB3' HD21 ' A' ' 82' ' ' LEU . 30.2 tttt -129.29 105.15 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.468 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 83.9 mt -92.34 97.32 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.6 116.4 18.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -74.51 -49.86 20.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.533 ' HB2' ' C ' ' A' ' 58' ' ' CYS . . . -47.25 -52.81 14.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.128 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -75.62 -6.07 48.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.415 ' C ' HG12 ' A' ' 90' ' ' ILE . 5.3 mmt 52.35 52.86 13.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.565 ' HB3' HD13 ' A' ' 89' ' ' LEU . 10.7 pttt -161.26 155.69 23.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 88' ' ' ARG . 24.5 tt0 -97.9 116.32 29.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 52.4 tpp -91.2 111.83 23.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.719 ' C ' HD22 ' A' ' 82' ' ' LEU . 16.4 t30 -82.51 140.33 33.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.72 HD22 ' N ' ' A' ' 82' ' ' LEU . 0.8 OUTLIER -115.88 -41.61 3.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.418 ' OG1' ' CE2' ' A' ' 68' ' ' PHE . 1.9 t -43.62 -42.38 5.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.189 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 63.1 p -118.85 -25.37 6.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.12 14.12 46.61 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -76.1 170.35 16.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.733 0.301 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -123.6 129.96 51.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 79' ' ' GLN . 65.9 mtt180 -132.69 158.55 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.565 HD13 ' HB3' ' A' ' 78' ' ' LYS . 3.8 mm? -105.48 161.25 14.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.415 HG12 ' C ' ' A' ' 77' ' ' MET . 7.6 pt -133.32 173.0 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -167.1 153.85 8.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -113.09 109.29 18.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -140.61 148.81 54.73 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.56 0.695 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 156.11 64.32 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.372 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.773 0.32 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -86.01 124.96 33.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -93.98 115.79 28.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.35 161.36 14.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.558 ' CZ2' ' HD3' ' A' ' 92' ' ' ARG . 18.9 m95 -109.82 147.19 33.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.803 0.335 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.5 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 26.7 m-85 -132.33 148.71 52.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.533 ' HB3' ' CE2' ' A' ' 34' ' ' PHE . 22.8 p90 -129.99 127.79 40.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.0 tp -62.71 154.48 29.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.16 163.68 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.414 ' C ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -52.66 -45.85 66.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 m -60.0 -31.55 70.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.61 41.25 1.04 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -132.81 138.05 46.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.758 0.313 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -82.87 113.79 20.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -102.95 116.15 31.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.5 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 25.3 ttt -52.66 113.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 24' ' ' TYR . 13.1 m-85 -34.73 127.5 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.658 0.742 . . . . 0.0 110.896 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.66 HG23 HD11 ' A' ' 49' ' ' ILE . 27.6 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.818 0.342 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.0 m -84.8 164.4 18.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.6 p -39.02 -43.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -42.47 -59.29 1.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.432 ' OD1' HD11 ' A' ' 61' ' ' ILE . 5.4 t70 -56.98 -61.85 2.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.66 HD11 HG23 ' A' ' 44' ' ' VAL . 4.5 mp -43.09 -40.22 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -70.19 -67.75 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -40.92 -36.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 t -69.82 -54.05 15.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.487 ' HA ' ' CE2' ' A' ' 74' ' ' PHE . 38.8 t80 -50.98 -44.23 60.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -50.13 -57.93 6.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.3 m -46.05 -46.22 16.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.402 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 30.2 t30 -147.09 105.05 3.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.634 0.731 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 56' ' ' ASN . 53.8 Cg_endo -69.77 -13.78 35.14 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.712 2.275 . . . . 0.0 112.347 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.6 p -121.39 41.06 3.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.25 -165.23 11.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.1 p -133.19 149.11 52.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.652 HG22 ' O ' ' A' ' 72' ' ' ILE . 7.8 tt -110.22 107.79 23.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.9 p -97.75 113.23 24.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 70' ' ' TYR . 17.7 p90 -133.46 151.65 51.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.7 p -123.53 126.16 46.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 66' ' ' SER . 2.1 p -87.19 -175.69 5.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.193 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 65' ' ' THR . 5.1 p -34.09 -71.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.489 ' HG3' ' CE2' ' A' ' 68' ' ' PHE . 12.9 ptpt -131.62 47.11 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.489 ' CE2' ' HG3' ' A' ' 67' ' ' LYS . 81.6 m-85 -159.01 161.74 36.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.5 m -128.19 153.0 47.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 97.1 m-85 -154.08 136.88 15.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.4 ttmt -122.88 107.36 11.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.652 ' O ' HG22 ' A' ' 61' ' ' ILE . 75.8 mt -102.94 103.01 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.08 131.67 34.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.487 ' CE2' ' HA ' ' A' ' 53' ' ' PHE . 30.5 m-85 -84.28 -47.17 11.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.22 -44.55 68.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -77.58 -9.65 59.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.6 mmt 53.32 46.35 26.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -162.04 150.15 14.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.443 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 31.4 tt0 -95.2 119.94 34.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 45.2 ttm -91.95 112.46 24.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.759 ' C ' HD22 ' A' ' 82' ' ' LEU . 24.3 t-20 -83.07 145.45 29.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.759 HD22 ' C ' ' A' ' 81' ' ' ASN . 0.9 OUTLIER -119.47 -44.33 2.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.443 HG22 ' OD1' ' A' ' 81' ' ' ASN . 1.9 t -54.18 -41.29 68.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.8 p -113.86 -24.54 9.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.89 14.18 65.36 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.493 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.485 ' N ' ' HB3' ' A' ' 81' ' ' ASN . 3.3 mmmm -73.53 173.81 9.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.727 0.299 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -142.02 137.25 30.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.443 ' CG ' ' HB3' ' A' ' 79' ' ' GLN . 14.0 ptp180 -148.92 166.75 27.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.7 mp -98.91 165.27 11.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.1 pt -139.1 144.39 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -136.27 153.11 51.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.558 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 26.1 ttp85 -119.8 112.25 19.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.669 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -148.27 163.38 26.86 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 111.077 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.669 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 53.3 Cg_endo -69.8 160.94 47.83 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.62 2.213 . . . . 0.0 112.311 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.0 m . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.742 0.306 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -90.27 121.65 32.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.445 ' HB3' ' NH1' ' A' ' 92' ' ' ARG . 90.1 m95 -88.32 124.28 33.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.07 157.11 15.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.535 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.555 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 14.4 m95 -104.88 136.38 44.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.479 ' CE2' ' SD ' ' A' ' 33' ' ' MET . 34.1 m-85 -129.58 168.12 16.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 34' ' ' PHE . 29.0 p90 -152.89 125.71 8.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.44 ' HG ' ' N ' ' A' ' 26' ' ' ALA . 40.4 tp -55.32 157.57 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.44 ' N ' ' HG ' ' A' ' 25' ' ' LEU . . . -116.47 162.41 17.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.079 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -50.1 -52.21 36.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.8 m -61.43 -31.74 71.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.417 ' HA2' HD11 ' A' ' 25' ' ' LEU . . . 115.89 43.13 0.69 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.449 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 13.8 tptt -135.35 117.56 15.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.938 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -69.7 121.64 17.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.48 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 39.6 m-70 -113.55 118.31 34.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.498 ' HE3' ' CZ ' ' A' ' 95' ' ' PHE . 5.1 ttt -58.19 120.02 7.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.529 ' CG ' ' CD1' ' A' ' 49' ' ' ILE . 84.5 m-85 -40.04 146.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 0.0 110.936 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.837 0.351 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.29 149.47 26.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 76.8 p -42.13 -34.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -59.94 -45.68 91.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.407 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 33.8 t70 -62.06 -63.04 1.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.529 ' CD1' ' CG ' ' A' ' 34' ' ' PHE . 42.9 mt -45.85 -40.54 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 52' ' ' SER . 0.4 OUTLIER -73.28 -67.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -36.7 -29.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 50' ' ' GLU . 54.5 m -77.35 -67.52 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 2.1 t80 -42.53 -25.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.29 -66.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.492 HG23 ' N ' ' A' ' 56' ' ' ASN . 13.4 t -71.21 -43.94 66.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.492 ' N ' HG23 ' A' ' 55' ' ' THR . 18.6 p-10 -113.32 77.69 3.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -13.13 34.06 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.615 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 4.0 m -125.91 37.1 4.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.47 -133.71 4.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.4 p -168.56 164.17 12.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.363 . . . . 0.0 110.813 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.572 ' O ' HG23 ' A' ' 61' ' ' ILE . 15.5 tt -137.34 106.26 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.5 p -83.99 139.44 32.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -166.55 176.15 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.832 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.7 p -129.39 162.78 27.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.113 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 65.2 p -133.81 -73.27 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 11.3 m -124.31 89.08 3.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 66' ' ' SER . 0.0 OUTLIER 48.13 30.64 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.435 ' CD1' ' O ' ' A' ' 67' ' ' LYS . 21.0 m-85 -142.99 168.54 19.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 m -126.51 153.69 44.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -152.59 131.19 12.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -113.32 99.41 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 77.4 mt -81.02 102.3 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.32 119.93 29.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.417 ' CE1' ' CH2' ' A' ' 22' ' ' TRP . 23.2 m-85 -79.44 -43.57 23.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 58' ' ' CYS . . . -49.78 -30.11 9.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.061 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -103.73 -6.85 21.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.42 ' C ' HG12 ' A' ' 90' ' ' ILE . 76.8 mmm 55.14 50.31 15.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -161.09 156.5 24.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -95.12 145.82 24.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.5 tpp -107.42 121.89 45.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -96.42 105.8 17.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.688 ' N ' HD12 ' A' ' 82' ' ' LEU . 2.0 mp -93.19 -12.12 31.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.467 HG23 HG23 ' A' ' 84' ' ' THR . 5.5 t -81.13 -38.25 27.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.467 HG23 HG23 ' A' ' 83' ' ' THR . 74.2 p -115.94 -25.99 7.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.37 35.67 10.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -108.53 175.72 5.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.725 0.298 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -118.72 129.25 55.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 mtm-85 -123.7 144.37 49.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.0 mt -95.9 154.39 17.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.555 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 21.3 pt -132.5 145.98 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.1 pttm -134.06 145.65 49.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.488 ' HD2' ' NE1' ' A' ' 22' ' ' TRP . 6.0 ttt85 -120.1 107.34 12.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.765 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -141.84 165.68 26.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.533 0.682 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.765 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 53.2 Cg_endo -69.84 150.51 67.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.642 2.228 . . . . 0.0 112.312 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.498 ' CZ ' ' HE3' ' A' ' 33' ' ' MET . 12.3 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.3 m . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.743 0.306 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -88.79 118.91 28.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -86.57 119.42 26.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.575 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -102.4 174.16 23.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.787 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 24.1 m95 -123.56 144.91 49.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 110.922 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 25.1 m-85 -141.51 164.98 28.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.479 ' CD1' ' O ' ' A' ' 24' ' ' TYR . 8.4 p90 -146.78 130.44 16.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.561 HD12 ' CZ2' ' A' ' 31' ' ' TRP . 2.9 tt -65.84 109.21 2.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.09 167.07 21.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.121 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 28' ' ' CYS . 7.7 pt-20 -64.3 -35.74 81.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 20.2 m -62.11 -30.23 70.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.72 -38.48 2.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.511 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -78.62 138.18 38.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.561 ' CZ2' HD12 ' A' ' 25' ' ' LEU . 28.2 m95 -77.6 127.85 33.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 46.5 m-70 -105.32 112.72 25.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.557 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 10.1 ttt -57.38 142.05 45.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.516 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 65.4 m-85 -60.2 135.42 57.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.566 0.698 . . . . 0.0 110.912 -179.913 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.589 HG23 HD11 ' A' ' 49' ' ' ILE . 34.4 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.817 0.342 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.675 ' O ' HD12 ' A' ' 49' ' ' ILE . 58.8 m -91.79 154.23 19.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 45' ' ' SER . 82.0 p -34.33 -41.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -57.33 -58.51 7.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.46 -52.69 7.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.734 ' H ' HD12 ' A' ' 49' ' ' ILE . 3.8 mp -66.42 -64.89 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -41.87 -33.16 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -61.41 -60.41 3.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.2 m -58.69 -40.98 85.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.464 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 25.1 t80 -61.34 -52.51 64.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -48.54 -60.22 2.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.434 HG23 ' N ' ' A' ' 56' ' ' ASN . 7.7 t -55.7 -42.94 75.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.434 ' N ' HG23 ' A' ' 55' ' ' THR . 53.8 t30 -137.47 105.04 8.44 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.627 0.727 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -20.19 34.87 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.669 2.246 . . . . 0.0 112.335 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.484 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 1.8 m -115.68 41.2 2.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.81 -167.13 13.05 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.545 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.2 p -138.18 169.42 17.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.1 tt -140.46 117.62 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.1 t -99.4 144.36 28.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.427 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 29.9 p90 -164.97 173.94 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.8 p -142.27 153.9 44.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 p -104.42 -74.96 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.7 t -126.49 -72.57 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -128.27 28.87 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -140.53 173.83 11.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.6 m -131.5 155.67 47.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.482 ' HA ' HD23 ' A' ' 82' ' ' LEU . 66.7 m-85 -151.85 130.98 12.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -121.39 117.44 26.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 92.7 mt -101.62 110.73 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -92.34 128.59 38.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.464 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 18.6 m-85 -85.59 -49.36 8.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.484 ' HB2' ' HA ' ' A' ' 58' ' ' CYS . . . -52.15 -36.2 50.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.071 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -86.41 -10.23 54.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 mmt 55.23 44.12 28.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -159.53 164.79 34.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -100.06 123.64 44.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.9 tpp -91.23 116.92 29.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.747 ' C ' HD22 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -87.04 141.91 28.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.787 HD22 ' N ' ' A' ' 82' ' ' LEU . 0.7 OUTLIER -120.55 -49.61 2.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.599 HG23 HG23 ' A' ' 84' ' ' THR . 2.9 t -52.8 -48.37 66.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.599 HG23 HG23 ' A' ' 83' ' ' THR . 32.5 p -104.99 -25.97 12.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.63 13.67 75.14 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.468 ' N ' ' HB3' ' A' ' 81' ' ' ASN . 4.6 mptt -76.12 175.28 9.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.738 0.304 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.63 141.2 52.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -146.72 155.6 42.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.39 157.39 17.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.787 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 42.1 pt -132.62 146.77 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -138.1 140.65 40.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.501 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 39.0 ttp85 -110.41 100.61 9.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -126.21 152.67 73.88 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.606 0.717 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 149.22 66.65 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.73 2.286 . . . . 0.0 112.291 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.575 ' CE1' ' HA3' ' A' ' 21' ' ' GLY . 31.8 m-85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.8 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.764 0.316 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -81.74 126.57 31.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -104.65 111.62 24.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.98 167.77 30.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.55 ' CH2' ' CD1' ' A' ' 74' ' ' PHE . 22.8 m95 -119.53 138.69 53.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.758 0.313 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.502 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 3.6 m-85 -130.06 151.92 50.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 34' ' ' PHE . 7.8 p90 -141.98 123.61 15.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.474 ' HB2' ' CE2' ' A' ' 31' ' ' TRP . 7.9 tp -51.14 134.04 27.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . -94.75 177.31 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -76.67 -41.49 45.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 t -59.36 -30.65 68.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.74 -41.29 1.51 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 14.9 mmtm -79.58 136.93 36.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.766 0.317 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.474 ' CE2' ' HB2' ' A' ' 25' ' ' LEU . 15.9 m95 -73.42 141.94 46.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.412 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 39.0 m-70 -119.54 113.45 20.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.502 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 2.8 ttt -62.38 120.33 10.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 24' ' ' TYR . 96.0 m-85 -38.29 129.74 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.849 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.506 HG23 HD11 ' A' ' 49' ' ' ILE . 3.9 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.857 0.361 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.24 146.15 23.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.9 p -42.12 -28.24 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -74.95 -51.45 13.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -45.79 -63.33 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.506 HD11 HG23 ' A' ' 44' ' ' VAL . 19.5 mt -49.37 -52.93 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.455 ' C ' ' OE1' ' A' ' 50' ' ' GLU . 2.2 tm-20 -51.94 -61.34 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -39.12 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.689 ' HB2' HD12 ' A' ' 61' ' ' ILE . 8.0 t -77.92 -48.11 17.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.443 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 7.3 t80 -59.1 -24.69 63.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -53.75 -61.61 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -78.48 -31.63 47.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -116.41 74.95 6.23 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -23.78 30.59 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.71 2.274 . . . . 0.0 112.333 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.494 ' C ' ' HB2' ' A' ' 75' ' ' ALA . 30.8 p -127.25 36.78 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.27 -142.88 6.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 p -151.83 139.61 19.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.689 HD12 ' HB2' ' A' ' 52' ' ' SER . 5.7 tt -104.51 117.59 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 90.5 p -93.95 124.32 37.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.539 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 10.6 p90 -146.6 133.0 19.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 69' ' ' SER . 40.7 p -118.4 136.14 53.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.185 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 t -155.01 133.34 11.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.478 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 1.4 t 69.46 53.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 66' ' ' SER . 7.4 ptpp? 46.26 29.93 0.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -122.82 172.1 8.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.409 ' HA ' HG22 ' A' ' 64' ' ' THR . 6.2 p -134.75 129.81 35.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.809 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.539 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 68.4 m-85 -138.66 138.97 38.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.608 ' HB3' HD21 ' A' ' 82' ' ' LEU . 25.5 ttpt -133.86 114.72 13.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 74.3 mt -96.14 115.13 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.36 114.3 25.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.55 ' CD1' ' CH2' ' A' ' 22' ' ' TRP . 20.4 m-85 -81.54 -45.61 15.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.494 ' HB2' ' C ' ' A' ' 58' ' ' CYS . . . -51.88 -42.18 62.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.061 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -88.91 1.09 55.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.7 mmt 49.29 52.15 14.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -160.76 159.48 30.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.502 ' NE2' ' OD1' ' A' ' 81' ' ' ASN . 6.7 tm0? -100.91 121.05 41.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 71' ' ' LYS . 25.1 ttm -97.87 112.98 24.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.502 ' OD1' ' NE2' ' A' ' 79' ' ' GLN . 15.3 m-20 -89.14 140.51 29.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.713 HD22 ' N ' ' A' ' 82' ' ' LEU . 1.3 mm? -112.97 -23.37 10.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.531 HG23 HG22 ' A' ' 84' ' ' THR . 9.2 t -65.8 -40.22 91.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.531 HG22 HG23 ' A' ' 83' ' ' THR . 1.7 t -124.79 -20.57 4.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.54 16.27 66.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' H ' HG23 ' A' ' 84' ' ' THR . 6.9 mmmm -73.16 146.46 45.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.704 0.288 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -101.13 131.54 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -134.27 178.9 6.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.9 mt -125.35 154.13 42.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.455 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 10.6 pt -132.15 175.32 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -167.44 145.31 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.533 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 1.4 tpt180 -106.08 123.71 48.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -161.61 151.28 13.84 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.559 0.695 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 150.48 68.41 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.339 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.415 ' O ' ' CD1' ' A' ' 20' ' ' TRP . 48.6 m . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.726 0.298 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -72.76 112.39 8.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.415 ' CD1' ' O ' ' A' ' 18' ' ' THR . 56.9 m95 -88.14 132.12 34.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.65 157.46 17.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.848 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 20.6 m95 -107.21 133.23 52.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.762 0.315 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.555 ' CD2' ' HB2' ' A' ' 33' ' ' MET . 4.9 m-85 -133.33 157.85 44.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 32' ' ' HIS . 30.1 p90 -144.1 123.77 13.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 26' ' ' ALA . 61.8 tp -46.72 165.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.466 ' N ' ' HG ' ' A' ' 25' ' ' LEU . . . -129.66 177.98 6.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -66.27 -58.3 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.6 t -56.05 -32.77 64.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.15 38.27 0.75 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -130.88 121.46 25.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.774 0.321 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -69.97 116.23 10.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 65.1 m-70 -95.53 129.3 42.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.555 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 11.4 ttt -83.31 118.07 23.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.649 ' CD2' ' CD1' ' A' ' 49' ' ' ILE . 92.3 m-85 -37.84 148.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.647 0.737 . . . . 0.0 110.861 -179.904 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.1 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.86 0.362 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -86.77 151.4 23.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.8 p -42.09 -40.05 2.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -63.71 -53.15 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -43.66 -67.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.649 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 24.1 mt -41.99 -55.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -51.6 -49.17 62.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -46.15 -39.63 9.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.3 m -66.61 -67.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.502 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 3.0 t80 -44.09 -38.37 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -45.89 -52.21 11.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.9 t -83.4 -40.35 19.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.159 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 31.8 p-10 -123.32 82.4 52.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.496 ' HB3' ' CE1' ' A' ' 53' ' ' PHE . 53.7 Cg_endo -69.77 -8.78 24.47 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.666 2.244 . . . . 0.0 112.38 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.7 p -125.51 37.9 4.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.02 -158.13 9.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.487 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.1 p -145.26 170.21 16.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 61' ' ' ILE . 17.3 tt -145.53 113.59 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.1 p -93.49 130.42 39.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -155.5 170.96 20.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.5 p -132.4 170.05 15.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.1 p -121.29 -58.48 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.1 t -132.34 -73.29 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -124.94 -17.38 5.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -100.35 165.53 11.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.7 m -121.08 161.96 20.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.519 ' HA ' HD23 ' A' ' 82' ' ' LEU . 85.7 m-85 -150.96 134.5 16.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -118.4 122.97 44.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 91.1 mt -105.96 99.22 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -93.21 103.45 15.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -57.68 -49.55 76.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.37 -42.5 31.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -81.31 -18.73 44.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.428 ' C ' HG12 ' A' ' 90' ' ' ILE . 7.1 mmt 61.76 43.63 9.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -162.46 157.24 22.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -97.24 113.88 25.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.479 ' HA ' ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -83.02 118.36 23.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.638 ' C ' HD22 ' A' ' 82' ' ' LEU . 2.4 m120 -81.11 143.38 32.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.718 HD22 ' N ' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -111.3 -29.91 7.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.613 HG23 ' N ' ' A' ' 84' ' ' THR . 8.2 t -73.59 -53.34 10.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.613 ' N ' HG23 ' A' ' 83' ' ' THR . 69.7 p -104.33 -22.78 13.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 81.58 20.67 63.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.487 ' N ' ' HB2' ' A' ' 81' ' ' ASN . 16.7 mtmm -75.02 174.29 9.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.728 0.299 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -134.07 140.04 46.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 68.0 mtm-85 -147.52 128.88 14.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.97 141.51 44.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.848 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 30.3 pt -109.95 176.83 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -165.85 151.98 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.51 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 5.8 ttp-105 -124.33 102.51 7.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.703 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -128.44 163.61 43.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.592 0.71 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.703 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 54.2 Cg_endo -69.72 144.43 54.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.77 0.319 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -73.06 147.01 45.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -107.28 126.02 51.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -109.64 169.23 13.58 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.672 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 26.9 m95 -119.16 132.74 56.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.76 0.314 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -133.35 143.1 48.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 34' ' ' PHE . 36.1 p90 -117.6 129.52 55.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.645 HD13 ' CE2' ' A' ' 31' ' ' TRP . 45.8 tp -56.66 145.38 28.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.74 173.57 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -76.44 -39.73 52.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.9 t -56.92 -31.91 65.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.75 -40.34 1.86 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -78.63 143.33 36.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.645 ' CE2' HD13 ' A' ' 25' ' ' LEU . 44.2 m95 -83.99 149.19 26.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -131.69 124.13 29.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.556 ' HE1' ' CZ ' ' A' ' 95' ' ' PHE . 7.3 ttm -56.64 160.39 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.538 ' HE2' HD11 ' A' ' 72' ' ' ILE . 45.9 m-85 -77.52 112.18 14.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 34' ' ' PHE . 2.7 mp0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.793 0.33 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 46' ' ' SER . 33.0 m -137.13 167.39 21.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' SER . 87.0 p -37.21 -37.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.857 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -69.65 -55.69 9.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.03 -61.23 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.465 HD13 ' CD2' ' A' ' 34' ' ' PHE . 19.3 mt -48.77 -49.94 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -52.53 -52.11 56.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -49.29 -43.06 42.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.0 t -63.01 -41.34 99.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.446 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 35.7 t80 -61.59 -41.47 97.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -52.62 -63.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.3 t -68.94 -30.43 68.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -126.81 81.43 69.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -30.23 22.75 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.717 2.278 . . . . 0.0 112.366 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.455 ' CA ' ' HB2' ' A' ' 75' ' ' ALA . 79.4 m -122.95 45.16 2.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.99 -135.84 5.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.9 p -168.1 145.85 4.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.349 . . . . 0.0 110.826 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.531 ' O ' HG23 ' A' ' 61' ' ' ILE . 16.5 tt -119.81 118.08 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.0 p -103.01 97.65 7.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.437 ' HE2' HD12 ' A' ' 72' ' ' ILE . 51.1 p90 -119.28 162.04 19.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.722 HG22 ' HA ' ' A' ' 69' ' ' SER . 78.3 p -141.82 133.38 26.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 67' ' ' LYS . 77.1 p -104.38 52.01 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 t 39.94 25.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.601 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 23.1 ttpt -134.63 -51.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 67' ' ' LYS . 39.9 m-85 -158.56 137.56 11.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.722 ' HA ' HG22 ' A' ' 64' ' ' THR . 16.1 m -77.59 132.39 38.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -129.9 143.11 50.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -129.27 101.74 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.538 HD11 ' HE2' ' A' ' 34' ' ' PHE . 65.1 mt -92.32 113.41 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -97.07 100.5 11.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.446 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 24.7 m-85 -56.36 -43.32 79.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.455 ' HB2' ' CA ' ' A' ' 58' ' ' CYS . . . -54.11 -45.18 71.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.078 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -78.96 -13.44 59.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.434 ' C ' HG12 ' A' ' 90' ' ' ILE . 1.4 mmt 61.66 41.77 11.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.48 163.63 27.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -95.46 159.06 15.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 60.2 ttm -135.75 110.52 8.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -83.37 142.36 31.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.623 HD22 ' N ' ' A' ' 82' ' ' LEU . 2.1 mm? -108.45 -21.39 12.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.95 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.593 HG23 HG23 ' A' ' 84' ' ' THR . 6.3 t -76.8 -45.32 29.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.593 HG23 HG23 ' A' ' 83' ' ' THR . 70.8 p -110.39 -26.01 9.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.26 28.45 27.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -95.23 148.63 22.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.705 0.288 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -119.51 117.52 28.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -118.02 122.08 42.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.2 tp -50.01 165.79 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.672 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 38.3 pt -140.18 143.35 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.496 ' HD3' ' CD2' ' A' ' 31' ' ' TRP . 10.1 ptmm? -132.72 147.26 52.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.487 ' HD2' ' NE1' ' A' ' 22' ' ' TRP . 5.7 ttt-85 -117.88 103.88 10.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.62 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -128.25 161.4 56.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.573 0.702 . . . . 0.0 111.094 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.62 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 54.2 Cg_endo -69.81 153.73 68.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.703 2.269 . . . . 0.0 112.338 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.556 ' CZ ' ' HE1' ' A' ' 33' ' ' MET . 11.1 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 85.9 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.704 0.288 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -88.67 131.4 35.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -101.16 124.16 46.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.88 162.68 12.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.447 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.796 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 12.9 m95 -106.55 145.65 31.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.423 ' CE2' ' HG3' ' A' ' 33' ' ' MET . 72.1 m-85 -140.9 155.37 46.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' A' ' 32' ' ' HIS . 24.7 p90 -137.27 125.34 22.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.479 HD13 ' CE2' ' A' ' 31' ' ' TRP . 15.4 tp -55.45 145.98 21.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.03 167.57 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.078 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -64.22 -40.72 96.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.2 t -57.62 -32.33 67.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.78 -38.8 2.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -79.42 136.12 36.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.479 ' CE2' HD13 ' A' ' 25' ' ' LEU . 36.9 m95 -72.56 143.7 48.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.466 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 39.9 m-70 -119.8 127.74 53.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.423 ' HG3' ' CE2' ' A' ' 23' ' ' PHE . 5.3 ttt -64.48 146.61 54.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 51.6 m-85 -66.04 156.19 34.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.534 0.683 . . . . 0.0 110.938 -179.909 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.587 HG23 HD11 ' A' ' 49' ' ' ILE . 20.3 m . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.894 0.378 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -80.06 160.96 25.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.0 p -45.43 -37.35 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -53.51 -70.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -42.41 -62.36 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.587 HD11 HG23 ' A' ' 44' ' ' VAL . 17.7 mt -47.48 -60.19 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -47.98 -48.24 32.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -52.15 -47.1 65.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.1 m -68.17 -35.06 77.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.418 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 44.2 t80 -63.72 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -61.67 -64.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.6 t -63.92 -36.62 84.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -123.75 76.79 56.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.73 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -28.84 24.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.643 2.229 . . . . 0.0 112.385 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.868 ' C ' ' HB2' ' A' ' 75' ' ' ALA . 28.2 p -116.88 34.41 5.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.93 -137.4 5.58 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.431 ' CB ' ' HA ' ' A' ' 73' ' ' ASP . 23.8 p -161.65 147.14 13.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 110.871 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.514 ' O ' HG23 ' A' ' 61' ' ' ILE . 11.1 tt -115.08 107.91 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.5 p -89.34 121.4 31.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 7.1 p90 -144.12 134.66 24.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.2 p -113.39 116.68 30.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 67' ' ' LYS . 64.6 p -88.33 139.7 30.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.7 t -40.11 -25.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 65' ' ' THR . 32.8 ttmt -84.35 -58.21 2.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.433 ' CD2' ' HG2' ' A' ' 67' ' ' LYS . 30.7 m-85 -149.36 176.32 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.9 m -102.95 150.51 23.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.584 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 81.8 m-85 -154.5 142.81 20.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -134.25 100.21 4.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.6 mt -85.32 108.52 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.431 ' HA ' ' CB ' ' A' ' 60' ' ' SER . 2.7 m-20 -92.01 97.14 10.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.418 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 23.8 m-85 -53.92 -48.07 70.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.868 ' HB2' ' C ' ' A' ' 58' ' ' CYS . . . -49.78 -41.32 44.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -83.46 -16.28 46.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.428 ' C ' HG12 ' A' ' 90' ' ' ILE . 5.1 mmt 62.48 44.71 6.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.8 162.93 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.472 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 15.3 tt0 -95.02 132.07 40.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.0 tpp -93.98 94.16 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.477 ' CG ' ' HG1' ' A' ' 84' ' ' THR . 5.9 t-20 -74.67 113.28 11.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 mt -99.22 -39.83 8.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.656 HG23 HG23 ' A' ' 84' ' ' THR . 3.9 t -57.71 -39.32 76.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.656 HG23 HG23 ' A' ' 83' ' ' THR . 53.0 p -108.26 -25.94 10.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.99 17.18 67.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.421 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -94.37 175.3 6.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.721 0.296 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -130.06 149.04 51.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.472 ' CG ' ' HB3' ' A' ' 79' ' ' GLN . 19.3 ptp180 -153.74 145.5 23.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -83.78 155.79 22.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.796 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 39.7 pt -126.4 174.7 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -164.49 148.92 9.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.53 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 18.1 ttp85 -117.52 101.64 8.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.575 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -130.12 159.93 67.87 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.722 . . . . 0.0 111.068 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 54.1 Cg_endo -69.76 154.59 67.57 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.647 2.232 . . . . 0.0 112.359 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.3 m . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.692 0.282 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.565 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 15.6 mm-40 -75.92 145.05 40.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.645 ' C ' ' CE1' ' A' ' 95' ' ' PHE . 94.0 m95 -107.98 124.03 49.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.653 ' CA ' ' CZ ' ' A' ' 95' ' ' PHE . . . -113.85 152.13 18.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.517 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.765 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 14.9 m95 -105.32 133.86 49.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.814 0.34 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.45 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 27.8 m-85 -134.7 136.13 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -115.75 141.42 48.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.533 HD11 ' HA2' ' A' ' 29' ' ' GLY . 32.5 tp -66.89 158.69 30.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' N ' ' HG ' ' A' ' 25' ' ' LEU . . . -120.03 -177.18 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.65 -36.47 73.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 t -84.27 26.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.533 ' HA2' HD11 ' A' ' 25' ' ' LEU . . . 56.53 38.82 82.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -126.88 127.09 44.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CE3' ' HG2' ' A' ' 91' ' ' LYS . 60.2 m95 -83.68 123.84 30.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -104.65 149.49 25.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.45 ' HA ' ' CD2' ' A' ' 23' ' ' PHE . 18.7 ttt -75.63 127.53 33.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.493 ' HD2' HD13 ' A' ' 49' ' ' ILE . 4.5 m-85 -47.06 133.24 11.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 34' ' ' PHE . 62.3 mm-40 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.556 0.693 . . . . 0.0 110.939 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.8 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.843 0.354 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.598 ' O ' HD12 ' A' ' 49' ' ' ILE . 62.6 m -138.18 163.04 32.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 45' ' ' SER . 53.6 p -33.32 -35.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 45' ' ' SER . 14.1 tt0 -71.7 -59.49 2.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -38.96 -49.84 1.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.609 ' H ' HD12 ' A' ' 49' ' ' ILE . 5.3 mp -62.52 -64.83 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' ILE . 38.7 tt0 -37.52 -45.77 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -61.55 -44.38 97.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 49' ' ' ILE . 66.1 m -67.6 -34.4 76.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.487 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 78.6 t80 -71.58 -37.3 71.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -61.76 -59.4 5.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.1 t -61.11 -39.01 88.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -133.08 96.14 17.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.641 0.734 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -19.54 36.1 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 81.7 m -124.1 40.71 3.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.64 165.31 16.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.8 p -111.57 150.98 29.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.349 . . . . 0.0 110.905 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.538 ' O ' HG23 ' A' ' 61' ' ' ILE . 12.0 tt -119.8 103.74 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.2 p -85.02 119.71 25.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 7.3 p90 -145.15 136.7 25.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.1 p -110.53 117.68 34.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.16 -174.56 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 m -64.66 99.82 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.611 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 14.5 tptm 67.34 31.49 6.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.611 ' CD1' ' O ' ' A' ' 67' ' ' LYS . 25.1 m-85 -157.84 157.22 32.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.17 148.75 49.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.582 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 84.5 m-85 -154.51 139.0 16.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 80' ' ' MET . 4.2 ttmt -126.67 126.88 44.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.551 HD11 ' NE2' ' A' ' 79' ' ' GLN . 78.8 mt -117.85 113.08 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.19 118.87 37.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.487 ' CE1' ' HB2' ' A' ' 53' ' ' PHE . 29.4 m-85 -68.92 -53.2 22.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.59 -37.29 39.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -83.49 -15.94 47.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.8 mmt 55.56 45.01 25.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -159.44 149.85 19.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.551 ' NE2' HD11 ' A' ' 72' ' ' ILE . 33.6 tt0 -95.68 109.9 22.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 71' ' ' LYS . 35.0 tpp -85.95 112.2 20.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.609 ' C ' HD22 ' A' ' 82' ' ' LEU . 23.6 t-20 -83.45 144.93 29.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.699 HD22 ' N ' ' A' ' 82' ' ' LEU . 1.5 mm? -115.37 -41.56 3.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.8 t -47.63 -46.98 29.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.6 p -115.69 -25.08 7.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 89.89 26.95 22.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.446 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.0 mmtm -84.91 173.75 10.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.687 0.279 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -137.51 141.79 41.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -155.95 130.53 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.6 mt -63.71 161.53 14.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.765 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 45.6 pt -136.35 149.72 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.568 ' HG2' ' CE3' ' A' ' 31' ' ' TRP . 13.2 pttp -143.65 155.35 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 66.6 ttp85 -120.99 103.1 8.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -125.03 152.61 70.71 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.567 0.699 . . . . 0.0 111.077 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 141.94 46.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.374 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.653 ' CZ ' ' CA ' ' A' ' 21' ' ' GLY . 6.9 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.1 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.732 0.301 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -79.4 126.38 30.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -101.32 116.92 33.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -98.11 151.57 19.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.52 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.833 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 9.9 m95 -107.77 140.11 41.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.769 0.319 . . . . 0.0 110.932 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.402 ' HB2' ' CG ' ' A' ' 91' ' ' LYS . 31.2 m-85 -141.45 150.74 42.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.598 ' CE1' ' NH1' ' A' ' 88' ' ' ARG . 28.0 p90 -137.89 147.58 44.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 31' ' ' TRP . 9.5 tp -75.99 116.33 16.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.71 163.97 19.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -59.38 -39.67 84.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 91.2 m -58.6 -30.74 67.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.95 -39.08 2.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.418 ' HD3' ' N ' ' A' ' 31' ' ' TRP . 3.4 tmtt? -79.78 128.41 33.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.505 ' CE2' ' HB2' ' A' ' 25' ' ' LEU . 24.3 m95 -67.36 132.9 48.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -100.68 129.77 46.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.1 ttt -67.16 128.03 34.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.495 ' HE2' HD13 ' A' ' 72' ' ' ILE . 6.4 m-85 -48.86 121.35 4.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.703 HG23 HD11 ' A' ' 49' ' ' ILE . 35.7 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.84 0.352 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.641 ' O ' HD12 ' A' ' 49' ' ' ILE . 8.1 m -111.45 157.58 20.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.793 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 45' ' ' SER . 65.9 p -34.77 -36.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.848 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 45' ' ' SER . 2.8 tp10 -68.71 -62.66 1.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -39.2 -48.21 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.703 HD11 HG23 ' A' ' 44' ' ' VAL . 5.2 mp -62.18 -69.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.456 ' OE2' ' CG ' ' A' ' 54' ' ' LYS . 14.8 tm-20 -38.41 -33.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -68.91 -47.46 65.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' ILE . 22.8 t -68.3 -40.77 81.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 5.0 t80 -71.51 -30.17 65.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.456 ' CG ' ' OE2' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -53.44 -51.89 61.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.9 t -81.2 -30.78 34.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -133.01 87.48 39.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.615 0.722 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.436 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . 53.4 Cg_endo -69.71 -13.99 35.59 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.688 2.259 . . . . 0.0 112.354 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.541 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 96.3 m -122.08 33.33 5.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -105.72 -132.87 7.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.5 p -173.85 172.92 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.828 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.567 HD11 HG11 ' A' ' 44' ' ' VAL . 13.6 tt -152.63 106.84 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.2 t -93.87 135.38 35.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.414 ' CZ ' HG22 ' A' ' 44' ' ' VAL . 54.9 p90 -160.56 175.38 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 66.1 p -143.8 164.08 31.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.8 p -110.09 -69.94 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.2 p -127.68 -68.1 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -123.93 -18.39 5.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.527 ' CD2' ' OG1' ' A' ' 83' ' ' THR . 3.3 m-85 -99.73 153.66 18.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.436 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 18.2 m -115.71 161.82 18.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.835 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.436 ' CD1' ' O ' ' A' ' 69' ' ' SER . 52.2 m-85 -154.02 133.67 12.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.942 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -127.64 110.43 12.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.495 HD13 ' HE2' ' A' ' 34' ' ' PHE . 86.1 mt -88.82 99.23 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.76 117.57 23.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.654 ' CZ ' HG23 ' A' ' 49' ' ' ILE . 23.6 m-85 -78.8 -45.7 20.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 58' ' ' CYS . . . -50.1 -33.17 17.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -97.33 -6.35 34.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.414 ' C ' HG12 ' A' ' 90' ' ' ILE . 76.5 mmm 54.82 49.24 18.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.29 161.63 27.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.91 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.476 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 19.9 tm0? -95.52 109.24 21.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -78.9 113.45 17.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.648 ' C ' HD22 ' A' ' 82' ' ' LEU . 10.8 t-20 -84.87 146.25 27.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.742 HD22 ' N ' ' A' ' 82' ' ' LEU . 1.0 OUTLIER -115.56 -26.23 7.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.767 HG23 HG22 ' A' ' 84' ' ' THR . 7.4 t -68.43 -42.82 78.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.767 HG22 HG23 ' A' ' 83' ' ' THR . 0.6 OUTLIER -124.79 -21.77 4.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 85.06 13.51 71.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.424 ' H ' HG23 ' A' ' 84' ' ' THR . 5.5 mmmm -75.4 127.89 34.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.706 0.289 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -89.44 147.6 23.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.598 ' NH1' ' CE1' ' A' ' 24' ' ' TYR . 4.3 ptp180 -148.31 130.04 15.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 45.2 mt -66.64 147.17 53.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.833 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 28.8 pt -123.62 170.47 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.402 ' CG ' ' HB2' ' A' ' 23' ' ' PHE . 4.8 ptmm? -153.26 155.55 36.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.531 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 37.0 ttp85 -131.19 97.12 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -128.37 151.84 77.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.6 0.714 . . . . 0.0 111.078 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 161.63 45.16 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.41 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.567 ' CE1' ' HA3' ' A' ' 21' ' ' GLY . 23.1 m-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.4 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.702 0.287 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -76.04 119.26 19.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -90.22 127.78 36.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -115.83 163.68 12.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.541 ' CD1' ' HB2' ' A' ' 50' ' ' GLU . 11.0 m95 -112.62 158.47 19.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.583 ' CE2' ' HG3' ' A' ' 33' ' ' MET . 32.9 m-85 -148.58 163.18 38.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -144.22 133.92 23.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.718 HD13 ' CE2' ' A' ' 31' ' ' TRP . 19.6 tp -59.77 160.07 7.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.63 -179.02 4.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -69.84 -29.66 66.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 67.2 m -90.69 26.24 2.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.11 37.71 64.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -126.14 127.12 45.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.718 ' CE2' HD13 ' A' ' 25' ' ' LEU . 62.0 m95 -84.39 109.17 17.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -87.39 161.31 17.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.583 ' HG3' ' CE2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -88.79 141.13 28.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.4 ' CD2' ' HB3' ' A' ' 22' ' ' TRP . 9.3 m-85 -67.61 142.06 56.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.587 0.708 . . . . 0.0 110.909 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.831 HG23 HD11 ' A' ' 49' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.824 0.345 . . . . 0.0 111.133 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.571 ' O ' HD12 ' A' ' 49' ' ' ILE . 42.6 m -82.93 155.76 23.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.0 p -39.27 -51.44 2.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -43.82 -52.37 6.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.17 -70.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.831 HD11 HG23 ' A' ' 44' ' ' VAL . 5.3 mp -39.76 -46.45 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.541 ' HB2' ' CD1' ' A' ' 22' ' ' TRP . 37.1 tt0 -63.33 -50.85 68.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -52.75 -29.7 28.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.429 ' CB ' HD12 ' A' ' 61' ' ' ILE . 41.6 t -83.82 -30.8 26.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -71.91 -38.81 69.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -50.79 -55.13 18.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.0 t -72.64 -39.78 66.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.153 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -116.36 78.8 8.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.652 0.739 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -29.25 23.93 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.647 2.231 . . . . 0.0 112.37 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.631 ' C ' ' HB2' ' A' ' 75' ' ' ALA . 84.2 m -119.87 38.5 3.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.22 -132.79 3.95 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.513 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.6 p -168.72 145.44 3.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 61' ' ' ILE . 14.4 tt -108.08 118.7 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.6 t -99.47 130.97 45.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 6.5 p90 -154.34 141.86 19.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.8 p -118.4 116.83 27.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' PHE . 77.3 p -90.17 -178.11 5.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.42 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 31.7 t -50.11 119.71 3.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 68' ' ' PHE . 7.5 ptpp? 38.04 38.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' THR . 46.0 m-85 -158.97 141.33 13.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.9 m -125.95 149.91 48.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.586 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 98.6 m-85 -152.08 167.61 27.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -155.0 105.01 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.521 HG23 HD13 ' A' ' 90' ' ' ILE . 36.2 mt -89.42 108.16 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.96 118.25 26.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -80.35 -44.98 18.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.631 ' HB2' ' C ' ' A' ' 58' ' ' CYS . . . -55.77 -39.28 71.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -86.79 -13.37 45.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.7 mmt 60.23 46.97 9.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -158.9 153.82 24.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.487 ' OE1' ' N ' ' A' ' 80' ' ' MET . 2.7 tp60 -95.23 132.55 40.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.487 ' N ' ' OE1' ' A' ' 79' ' ' GLN . 25.1 tpp -97.91 111.34 23.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -86.91 101.47 13.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.8 mt -86.61 -40.07 15.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.0 t -41.58 -43.0 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 69.6 p -116.8 -25.35 7.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.77 33.7 6.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -102.67 173.6 6.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.737 0.303 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -119.44 123.67 44.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 79' ' ' GLN . 35.6 mmt-85 -125.8 158.3 35.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 mp -101.72 167.84 9.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.521 HD13 HG23 ' A' ' 72' ' ' ILE . 20.7 pt -145.04 170.15 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -170.3 151.68 3.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.515 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 34.6 ttp85 -108.88 120.46 42.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -151.8 152.07 29.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 111.081 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 144.52 54.58 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.95 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.3 m . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.711 0.291 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -83.26 126.17 32.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -90.12 108.37 19.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.34 159.37 21.85 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.657 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 12.3 m95 -111.78 141.68 45.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.733 0.302 . . . . 0.0 110.982 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 9.6 m-85 -130.04 168.5 16.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.452 ' HB3' ' CE1' ' A' ' 34' ' ' PHE . 30.3 p90 -155.52 126.72 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.952 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.703 HD12 ' NE1' ' A' ' 31' ' ' TRP . 9.6 tt -72.72 134.11 44.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.78 179.11 4.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -64.82 -19.87 66.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.5 p -87.96 25.26 1.59 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.82 34.69 5.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -131.34 118.19 19.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.332 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.703 ' NE1' HD12 ' A' ' 25' ' ' LEU . 44.5 m95 -74.88 106.75 6.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -91.61 115.86 28.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.551 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 6.8 ttt -58.84 115.98 3.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 24' ' ' TYR . 30.0 m-85 -34.84 144.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.565 0.698 . . . . 0.0 110.954 -179.944 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.1 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.832 0.348 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.584 ' O ' HD12 ' A' ' 49' ' ' ILE . 18.7 m -123.69 159.03 30.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.838 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' SER . 89.1 p -34.48 -34.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 45' ' ' SER . 21.1 tp10 -64.24 -62.47 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -41.98 -56.37 2.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.7 ' H ' HD12 ' A' ' 49' ' ' ILE . 5.3 mp -49.93 -40.05 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -71.01 -58.07 3.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.11 -29.71 32.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.8 m -73.65 -50.09 22.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 53' ' ' PHE . 2.1 t80 -62.47 -24.34 67.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -54.05 -56.17 20.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.9 t -72.64 -38.36 67.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -126.77 88.49 54.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.718 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.413 ' HB3' ' CE1' ' A' ' 53' ' ' PHE . 54.3 Cg_endo -69.78 -13.64 34.92 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.647 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 30.2 p -130.1 31.4 4.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -108.27 -143.63 10.66 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.534 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.4 p -153.31 166.05 33.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' A' ' 72' ' ' ILE . 8.6 tt -139.69 113.29 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.15 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.2 p -99.55 132.27 45.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -152.78 174.36 14.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 75.7 p -146.32 136.26 23.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.175 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.46 -75.37 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.9 t -122.72 -66.82 0.99 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.4 tptt -126.13 -9.63 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.515 ' CD2' ' OG1' ' A' ' 83' ' ' THR . 3.1 m-85 -103.74 158.76 16.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.6 m -119.48 157.11 28.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.485 ' HA ' HD23 ' A' ' 82' ' ' LEU . 55.1 m-85 -150.73 135.63 17.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.53 ' CB ' HD21 ' A' ' 82' ' ' LEU . 19.9 tttp -119.47 135.9 54.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.475 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 96.5 mt -123.02 96.93 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.55 116.68 23.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -73.36 -43.48 60.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.647 ' HB2' ' O ' ' A' ' 58' ' ' CYS . . . -48.84 -42.63 36.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -87.15 -5.53 58.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 mmt 54.32 45.17 27.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -160.02 158.97 31.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.479 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 34.9 tt0 -98.04 123.73 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' LYS . 57.4 ttm -96.49 118.45 33.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.6 ' C ' HD22 ' A' ' 82' ' ' LEU . 2.4 m120 -80.31 144.78 32.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.653 HD22 ' N ' ' A' ' 82' ' ' LEU . 1.6 mm? -112.99 -31.21 6.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.654 HG23 HG23 ' A' ' 84' ' ' THR . 7.0 t -68.08 -53.2 27.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.654 HG23 HG23 ' A' ' 83' ' ' THR . 34.0 p -107.8 -24.75 11.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.08 30.36 31.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.533 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.43 ' N ' ' HB2' ' A' ' 81' ' ' ASN . 14.0 mmmt -76.71 174.14 10.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.324 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -135.4 120.9 19.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.479 ' CG ' ' HB3' ' A' ' 79' ' ' GLN . 5.9 ptp180 -125.41 -178.57 4.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.6 mt -120.43 155.46 33.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.657 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 29.8 pt -131.34 160.69 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.416 ' HG2' ' CE3' ' A' ' 31' ' ' TRP . 15.7 pttm -151.82 144.63 24.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.51 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 5.7 ttp-105 -112.26 116.01 29.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.671 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -151.72 162.98 25.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.533 0.682 . . . . 0.0 111.079 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.671 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 53.6 Cg_endo -69.76 153.67 68.65 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.8 m . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.729 0.3 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.558 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 26.0 mm-40 -75.03 146.31 41.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -108.75 105.97 15.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.47 140.15 14.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.479 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.558 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 8.1 m95 -91.9 146.82 23.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.74 0.305 . . . . 0.0 110.95 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -136.23 167.47 21.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -144.47 138.92 27.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.9 tp -69.59 133.55 47.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.954 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.2 -176.15 4.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.86 -55.12 25.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 72.9 m -56.41 -33.35 65.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.48 42.11 0.65 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.451 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -129.07 142.69 50.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.786 0.326 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.438 ' CE3' ' HG2' ' A' ' 91' ' ' LYS . 65.4 m95 -85.76 118.21 25.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -101.4 161.84 13.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.1 ttt -91.6 118.36 30.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -45.52 127.81 7.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.568 0.699 . . . . 0.0 110.957 -179.94 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.539 ' CG2' ' HB3' ' A' ' 48' ' ' ASP . 6.4 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.831 0.348 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 47' ' ' GLU . 1.2 m -98.8 143.83 28.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.505 ' HA ' HD13 ' A' ' 49' ' ' ILE . 13.7 p -31.98 -35.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 45' ' ' SER . 24.0 tt0 -46.75 -59.33 3.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.539 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 2.4 t0 -58.61 -69.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.539 ' H ' HD12 ' A' ' 49' ' ' ILE . 4.2 mp -33.12 -36.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 48' ' ' ASP . 5.6 tp10 -73.96 -64.21 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.487 ' CG ' ' N ' ' A' ' 52' ' ' SER . 8.9 ptpt -48.84 -47.49 42.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.487 ' N ' ' CG ' ' A' ' 51' ' ' LYS . 8.5 t -58.24 -49.11 78.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.439 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 23.4 t80 -58.26 -43.75 88.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -50.56 -62.71 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 t -66.32 -36.07 81.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.203 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -124.64 79.94 62.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.733 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -21.36 33.69 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.734 2.289 . . . . 0.0 112.337 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.1 p -122.26 33.63 5.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -111.41 -138.71 7.68 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.8 p -168.68 131.23 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.358 . . . . 0.0 110.855 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.651 ' O ' HG23 ' A' ' 61' ' ' ILE . 17.8 tt -101.99 105.49 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.6 p -95.57 125.83 40.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.587 ' CE2' ' HB2' ' A' ' 70' ' ' TYR . 50.0 p90 -139.33 178.95 6.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.0 p -143.54 163.09 34.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 66' ' ' SER . 4.3 p -143.31 -175.26 4.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.485 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 5.6 m -35.98 102.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.598 ' HE3' ' CE1' ' A' ' 68' ' ' PHE . 8.1 pttt 37.99 46.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.598 ' CE1' ' HE3' ' A' ' 67' ' ' LYS . 21.4 m-85 -152.5 161.05 43.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.406 ' CB ' ' HB2' ' A' ' 82' ' ' LEU . 10.3 t -129.06 150.4 50.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.587 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 82.3 m-85 -154.28 133.4 12.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' MET . 22.7 tttt -127.11 131.18 50.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 81.9 mt -120.95 98.53 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -86.01 109.27 18.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.439 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 24.0 m-85 -60.77 -45.07 95.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.15 -47.22 45.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -83.32 -2.6 56.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.426 ' HA ' HD11 ' A' ' 90' ' ' ILE . 4.1 mmt 45.61 53.01 8.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -159.71 156.7 28.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -96.08 108.74 21.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 71' ' ' LYS . 36.6 tpp -86.16 111.47 20.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.72 ' C ' HD22 ' A' ' 82' ' ' LEU . 19.8 t-20 -82.86 146.31 28.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.724 HD22 ' N ' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -115.83 -46.06 2.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.456 HG23 HG23 ' A' ' 84' ' ' THR . 2.9 t -48.74 -46.94 41.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.456 HG23 HG23 ' A' ' 83' ' ' THR . 45.5 p -112.84 -24.01 9.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.52 21.83 59.46 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.464 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -76.82 172.57 12.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.741 0.305 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -120.48 138.32 53.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -144.47 162.55 36.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.4 ' N ' HD22 ' A' ' 89' ' ' LEU . 3.9 mm? -107.22 164.81 11.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.558 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 34.0 pt -138.93 172.03 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.438 ' HG2' ' CE3' ' A' ' 31' ' ' TRP . 36.6 pttt -171.82 154.27 3.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.517 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 31.8 ttp85 -119.06 129.75 55.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -153.0 158.11 32.94 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.609 0.719 . . . . 0.0 111.118 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.505 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 54.0 Cg_endo -69.79 143.07 49.53 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.626 ' CD1' ' C ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.749 0.309 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -76.06 136.22 39.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -102.46 123.01 45.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.41 176.39 18.91 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.789 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 14.2 m95 -121.05 141.88 50.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.787 0.327 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 58.6 m-85 -132.18 156.04 47.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.437 ' CD1' ' O ' ' A' ' 24' ' ' TYR . 37.5 p90 -137.3 129.27 29.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.5 tp -62.34 150.91 38.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -109.23 171.59 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -63.5 -44.19 95.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.2 m -62.35 -31.51 72.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.62 38.61 0.97 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -134.68 129.88 35.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 110.839 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -81.23 112.79 18.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -104.98 136.83 43.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.653 ' CE ' ' CE2' ' A' ' 95' ' ' PHE . 2.9 tpt -64.26 150.41 46.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.468 ' CZ ' HD13 ' A' ' 49' ' ' ILE . 24.1 m-85 -66.42 170.68 5.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 34' ' ' PHE . 84.3 mm-40 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.628 HG13 ' CE2' ' A' ' 63' ' ' PHE . 33.9 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.886 0.374 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 m -80.11 153.99 28.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.9 p -42.35 -35.34 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -56.61 -63.29 1.25 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -43.89 -71.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.468 HD13 ' CZ ' ' A' ' 34' ' ' PHE . 14.7 mt -39.05 -56.91 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' LYS . 33.7 tt0 -48.79 -58.21 5.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLU . 11.1 ttpt -36.48 -38.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.436 ' OG ' HD12 ' A' ' 61' ' ' ILE . 49.2 m -78.06 -46.6 20.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 62.3 t80 -56.5 -40.63 75.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -51.39 -58.12 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.3 t -69.91 -38.77 76.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -130.85 91.94 35.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.669 0.747 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -10.76 29.32 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.715 2.276 . . . . 0.0 112.342 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.426 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 91.4 m -133.33 40.21 3.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.27 -158.56 11.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 25.5 p -144.45 149.17 35.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.368 . . . . 0.0 110.825 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.622 ' O ' HG23 ' A' ' 61' ' ' ILE . 16.9 tt -122.27 110.32 26.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.2 p -95.21 112.61 24.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.628 ' CE2' HG13 ' A' ' 44' ' ' VAL . 53.0 p90 -139.17 -179.72 6.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 71.1 p -139.5 167.26 22.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 30.7 p -132.89 -48.62 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 68' ' ' PHE . 80.9 p -158.13 107.92 2.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.587 ' HE2' ' CE1' ' A' ' 68' ' ' PHE . 4.2 pttm 38.19 27.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.587 ' CE1' ' HE2' ' A' ' 67' ' ' LYS . 17.6 m-85 -139.56 173.65 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 m -136.23 146.9 47.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.459 ' HA ' HD23 ' A' ' 82' ' ' LEU . 84.6 m-85 -140.95 136.75 32.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -124.34 125.17 43.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 91.8 mt -115.99 105.18 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.02 114.98 26.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.482 ' CD1' ' CH2' ' A' ' 22' ' ' TRP . 23.7 m-85 -69.41 -51.98 31.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . . . -46.58 -39.72 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -82.74 -19.06 38.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.436 ' C ' HG12 ' A' ' 90' ' ' ILE . 8.6 mmt 61.65 47.0 6.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.419 ' N ' HG12 ' A' ' 90' ' ' ILE . 7.5 ptpp? -162.42 152.98 17.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -95.08 117.76 30.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 59.5 ttm -94.18 109.69 21.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.637 ' C ' HD22 ' A' ' 82' ' ' LEU . 2.7 m-20 -79.43 145.11 33.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.666 HD22 ' N ' ' A' ' 82' ' ' LEU . 1.3 mm? -113.44 -36.97 4.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.622 HG23 HG23 ' A' ' 84' ' ' THR . 5.2 t -62.27 -46.36 89.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.622 HG23 HG23 ' A' ' 83' ' ' THR . 62.4 p -108.59 -25.92 10.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 85.0 28.83 30.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.538 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -91.22 175.39 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -144.01 146.57 32.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -157.21 121.97 4.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.3 mt -53.81 155.11 3.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.789 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 26.1 pt -129.26 157.63 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.417 ' HB2' ' NZ ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -149.66 138.9 21.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.4 ttp85 -99.49 111.81 24.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.605 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -138.49 160.78 62.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.537 0.684 . . . . 0.0 111.128 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.605 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 53.3 Cg_endo -69.78 170.16 17.24 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.653 ' CE2' ' CE ' ' A' ' 33' ' ' MET . 74.7 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 m -123.11 148.16 45.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 110.894 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.2 p -143.12 155.55 44.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.11 147.07 4.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 p -130.33 160.08 35.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.847 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.5 m -155.8 144.02 20.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.3 -51.96 0.29 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -77.25 171.31 15.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 110.924 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -154.77 135.76 13.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.6 t -118.69 101.7 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -109.49 -22.91 11.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' MET . 5.6 t70 -83.02 -9.1 59.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' ASP . 3.6 mmt 33.96 38.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -82.78 126.24 32.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 53.3 54.47 10.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 m -132.52 87.39 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -59.12 86.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.0 m -97.21 99.49 10.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.166 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -87.84 127.63 35.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -90.0 130.48 36.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.562 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -107.9 151.39 16.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.465 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . 22.1 m95 -107.91 141.33 39.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.857 0.361 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -136.16 162.23 33.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -143.88 131.02 20.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.5 tp -64.37 144.52 57.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.5 -175.39 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -78.4 -33.92 48.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.9 m -70.14 -30.81 68.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.81 34.53 1.68 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -135.45 118.06 15.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.328 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -66.91 115.52 6.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -101.68 137.69 39.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.422 ' HB3' ' NE2' ' A' ' 35' ' ' GLN . 1.6 tmt? -73.94 154.05 39.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.595 ' CD1' ' CD1' ' A' ' 49' ' ' ILE . 79.8 m-85 -77.13 109.06 10.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.422 ' NE2' ' HB3' ' A' ' 33' ' ' MET . 20.8 mp0 -107.71 143.9 28.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.619 0.723 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 144.95 55.75 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.68 2.254 . . . . 0.0 112.345 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.475 ' CB ' ' HA ' ' A' ' 42' ' ' CYS . 71.7 m-20 -154.1 136.42 14.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.602 HG23 ' N ' ' A' ' 39' ' ' ASN . 10.2 t -107.04 -52.54 2.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.602 ' N ' HG23 ' A' ' 38' ' ' THR . 19.0 t-20 -109.42 -55.9 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.5 p -75.24 106.24 6.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 42' ' ' CYS . 17.2 mp0 55.22 39.57 31.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.475 ' HA ' ' CB ' ' A' ' 37' ' ' ASP . 22.9 t -34.42 136.09 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.494 ' HA ' HG21 ' A' ' 65' ' ' THR . 5.6 m -162.66 178.7 8.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.6 m -90.02 146.26 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.65 151.89 28.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.0 p -49.2 -19.28 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -77.83 -48.69 15.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -62.88 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.595 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 41.0 mt -47.08 -57.43 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -52.09 -56.64 13.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -38.86 -39.02 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.692 ' OG ' HD12 ' A' ' 61' ' ' ILE . 66.9 m -71.11 -64.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.434 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 5.2 t80 -38.22 -32.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -58.16 -65.13 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.9 t -64.71 -38.57 91.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.455 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 25.5 p-10 -125.57 82.19 63.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -15.31 36.91 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.279 . . . . 0.0 112.315 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.5 p -127.99 41.6 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.5 -142.27 5.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.505 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.5 p -159.88 142.26 13.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.351 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.692 HD12 ' OG ' ' A' ' 52' ' ' SER . 15.7 tt -107.56 106.94 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.2 p -86.06 126.4 34.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.492 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 23.4 p90 -150.01 157.35 43.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.453 HG22 ' OG ' ' A' ' 69' ' ' SER . 24.1 p -125.99 125.54 42.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.178 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.494 HG21 ' HA ' ' A' ' 43' ' ' SER . 15.0 t -152.42 169.18 23.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.417 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 3.7 t 47.49 52.85 11.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.422 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 6.7 ptpp? 41.89 37.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.467 ' CD1' ' OG1' ' A' ' 83' ' ' THR . 47.9 m-85 -159.0 150.68 20.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.453 ' OG ' HG22 ' A' ' 64' ' ' THR . 58.5 m -93.52 142.97 26.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.539 ' CE1' ' OD1' ' A' ' 81' ' ' ASN . 57.5 m-85 -140.06 146.16 38.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.423 ' NZ ' ' OD1' ' A' ' 73' ' ' ASP . 29.2 tttm -132.9 139.35 47.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 74.9 mt -124.43 107.51 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.423 ' OD1' ' NZ ' ' A' ' 71' ' ' LYS . 7.1 m-20 -94.17 99.62 11.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -60.45 -45.83 92.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.11 -40.15 60.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.96 -11.95 59.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.2 mmt 62.43 39.03 12.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.764 ' HB3' HD13 ' A' ' 89' ' ' LEU . 4.9 pttm -162.33 163.49 27.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -98.68 130.86 45.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 43.1 ttm -102.05 116.16 32.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.648 ' C ' HD22 ' A' ' 82' ' ' LEU . 10.8 t-20 -90.98 149.77 21.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.847 HD22 ' N ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -122.33 -26.58 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.592 HG23 ' N ' ' A' ' 84' ' ' THR . 7.1 t -68.87 -52.83 25.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.592 ' N ' HG23 ' A' ' 83' ' ' THR . 71.9 p -110.75 -20.41 12.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.61 31.11 51.34 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.442 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -87.98 131.24 34.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -90.46 135.38 33.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -147.24 121.97 9.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.764 HD13 ' HB3' ' A' ' 78' ' ' LYS . 4.2 mm? -76.1 144.78 40.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.3 pt -111.87 -176.75 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.1 pttm -171.62 144.5 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 38.6 ttp85 -111.0 126.21 54.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -156.81 151.97 21.52 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.563 0.697 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 152.48 69.38 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.657 2.238 . . . . 0.0 112.377 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.562 ' CE1' ' HA3' ' A' ' 21' ' ' GLY . 29.3 m-85 -65.37 -53.0 49.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.2 p -125.44 151.35 46.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.2 t -126.85 143.26 51.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.13 146.08 18.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 101' ' ' SER . 54.2 Cg_endo -69.66 -17.32 38.09 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.67 2.246 . . . . 0.0 112.395 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.6 m -44.57 93.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' PRO . 10.0 t -55.06 115.1 2.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.461 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m -121.75 -59.28 1.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 0.0 110.883 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.8 t -55.36 126.19 23.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.9 154.61 31.8 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 t -92.97 91.16 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.358 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.6 p -128.15 97.87 4.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.03 -169.31 0.82 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' A' ' 8' ' ' ASN . 4.3 p30 -75.39 155.16 36.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.55 40.05 3.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.0 t -133.52 124.51 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.27 134.36 34.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -120.71 78.56 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.413 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 23.1 mtm -101.65 -44.36 5.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 13' ' ' MET . 16.9 m-20 -174.0 176.09 2.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' ASP . 30.5 p 37.58 41.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t -105.2 78.87 1.43 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -43.13 102.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.8 m -149.06 140.69 23.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -89.33 134.89 33.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -112.03 121.99 46.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.483 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -114.7 156.4 15.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.413 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 9.3 m95 -108.42 134.5 51.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.823 0.344 . . . . 0.0 110.922 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.402 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 81.3 m-85 -130.9 136.91 49.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -121.52 139.28 53.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.986 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.87 143.32 57.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.514 ' HB2' ' CD2' ' A' ' 32' ' ' HIS . . . -108.22 168.31 9.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -64.06 -38.82 92.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 74.3 m -57.4 -29.01 63.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.57 -36.2 2.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -81.98 156.13 24.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.778 0.323 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -91.65 143.41 26.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.514 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 85.5 m-70 -114.4 148.35 37.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.591 ' CE ' ' CE1' ' A' ' 95' ' ' PHE . 3.4 ttt -74.7 130.0 38.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.523 ' HD2' HD13 ' A' ' 49' ' ' ILE . 4.0 m-85 -45.06 122.17 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -144.33 149.85 46.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.562 0.696 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' ASP . 53.6 Cg_endo -69.71 113.6 3.42 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.368 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.469 ' CB ' HG21 ' A' ' 65' ' ' THR . 3.5 t70 -35.51 -57.1 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.71 117.28 27.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.172 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -50.94 -47.63 61.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.9 m -58.16 111.54 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 42.48 53.95 4.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.0 p -53.85 -177.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -106.42 -68.2 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.6 m -131.6 153.94 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.677 ' O ' HD12 ' A' ' 49' ' ' ILE . 29.4 m -137.17 168.36 19.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.2 p -41.05 -24.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' SER . 14.5 tt0 -82.12 -53.38 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -47.61 -51.57 20.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.677 HD12 ' O ' ' A' ' 45' ' ' SER . 5.3 mp -57.51 -69.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' A' ' 51' ' ' LYS . 9.3 tm-20 -35.85 -48.11 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.461 ' N ' ' OE1' ' A' ' 50' ' ' GLU . 24.0 tttp -62.99 -42.35 99.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 49' ' ' ILE . 17.2 t -65.78 -50.67 63.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.408 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 44.4 t80 -52.26 -40.43 61.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -56.63 -49.61 74.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.8 m -58.91 -53.13 61.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.407 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 26.3 t30 -130.74 90.71 39.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.711 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 56' ' ' ASN . 53.7 Cg_endo -69.78 -0.63 7.2 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.35 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.57 ' C ' ' HB2' ' A' ' 75' ' ' ALA . 96.6 m -131.49 29.78 4.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -115.46 -149.63 9.58 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.537 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.6 p -154.53 141.16 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.84 0.352 . . . . 0.0 110.85 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.544 ' O ' HG23 ' A' ' 61' ' ' ILE . 12.9 tt -114.9 111.2 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.6 p -92.54 128.26 38.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 10.1 p90 -151.27 133.19 15.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 48.7 p -118.58 123.61 45.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.469 HG21 ' CB ' ' A' ' 37' ' ' ASP . 71.4 p -92.52 158.95 15.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.6 t -53.87 -15.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -90.33 -55.62 3.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.532 ' CD1' ' OG1' ' A' ' 83' ' ' THR . 59.4 m-85 -158.99 176.85 11.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 0.7 OUTLIER -95.38 152.01 18.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.797 -179.753 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.578 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 38.5 m-85 -153.64 140.7 19.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.941 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' MET . 28.0 tttm -130.16 124.02 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.476 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 53.7 mt -108.98 104.56 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.414 ' OD1' ' CG ' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -88.69 98.72 11.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.408 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 19.3 m-85 -53.26 -44.91 68.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.57 ' HB2' ' C ' ' A' ' 58' ' ' CYS . . . -59.07 -45.28 91.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -80.3 -6.62 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.1 mmt 48.92 51.64 15.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.414 ' CG ' ' OD1' ' A' ' 73' ' ' ASP . 8.0 ptpp? -161.51 163.24 30.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.442 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 42.8 tt0 -106.83 103.57 13.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 71' ' ' LYS . 28.7 tpp -79.4 122.49 26.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.551 ' C ' HD22 ' A' ' 82' ' ' LEU . 39.6 t-20 -86.26 143.99 27.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.761 HD22 ' N ' ' A' ' 82' ' ' LEU . 0.8 OUTLIER -112.86 -42.18 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.532 ' OG1' ' CD1' ' A' ' 68' ' ' PHE . 2.6 t -55.76 -44.67 77.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.198 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.7 p -111.17 -18.72 12.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.9 17.13 77.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.429 ' N ' ' HB3' ' A' ' 81' ' ' ASN . 27.0 mmmt -81.55 171.06 15.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.08 141.84 50.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.442 ' CG ' ' HB3' ' A' ' 79' ' ' GLN . 11.7 ptp180 -143.78 162.87 34.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -99.34 152.87 19.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.4 pt -127.76 175.39 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -161.45 146.12 13.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 52.3 ttp85 -116.79 110.92 19.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -144.2 154.91 58.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.568 0.699 . . . . 0.0 111.066 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 146.03 58.79 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.591 ' CE1' ' CE ' ' A' ' 33' ' ' MET . 19.5 m-85 -53.9 -49.75 67.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 64.2 m -68.25 134.82 51.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.6 p -100.55 43.25 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 172.27 -157.95 28.06 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 179.73 3.47 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.5 p -98.19 128.49 44.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 m -160.27 121.76 3.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 m -66.03 86.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.915 0.388 . . . . 0.0 110.882 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -38.78 -43.35 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.837 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.29 -168.28 30.87 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t 59.22 42.23 18.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.882 0.372 . . . . 0.0 110.881 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -67.22 144.02 56.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.95 63.95 4.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -152.0 129.7 11.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -155.8 146.83 22.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.595 ' O ' HG23 ' A' ' 10' ' ' VAL . 21.8 m -109.86 81.88 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.89 86.23 2.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.18 153.99 34.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.3 mmt -70.37 -42.3 71.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.09 94.17 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.5 m -115.37 122.4 45.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' ASP . 59.7 p -126.95 178.86 5.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' SER . 1.5 p-10 -34.9 113.72 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.462 ' O ' ' CD1' ' A' ' 20' ' ' TRP . 3.2 t -151.89 177.5 10.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 50.2 mt-30 -74.22 119.34 18.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.462 ' CD1' ' O ' ' A' ' 18' ' ' THR . 86.8 m95 -118.04 125.88 51.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -128.11 156.26 20.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.491 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 11.1 m95 -96.72 144.92 26.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.779 0.323 . . . . 0.0 110.916 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.538 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 37.0 m-85 -132.97 158.82 41.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.827 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 32' ' ' HIS . 27.2 p90 -145.94 123.77 11.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.426 HD13 ' CE2' ' A' ' 31' ' ' TRP . 25.6 tp -51.82 158.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.403 ' N ' ' HG ' ' A' ' 25' ' ' LEU . . . -134.96 158.13 45.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.072 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -55.03 -39.33 69.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 p -56.55 -32.15 64.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.47 -40.39 1.93 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.495 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -82.28 139.7 34.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.739 0.304 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.426 ' CE2' HD13 ' A' ' 25' ' ' LEU . 29.2 m95 -72.83 151.66 41.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 42.7 m-70 -119.61 124.5 46.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.538 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 6.7 ttt -73.95 122.98 23.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.491 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 42.2 m-85 -42.83 119.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -139.63 147.7 52.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.576 0.703 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 129.91 18.44 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.229 . . . . 0.0 112.362 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -99.58 159.07 15.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 42' ' ' CYS . 13.0 m -45.97 157.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.418 ' N ' HG22 ' A' ' 38' ' ' THR . 35.7 m-80 -50.78 -50.05 56.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.0 m -40.89 -51.06 3.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -123.65 40.08 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 38' ' ' THR . 15.7 p -38.79 154.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 89.4 p -144.66 179.46 7.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.683 HG23 HD11 ' A' ' 49' ' ' ILE . 34.5 m -93.1 123.85 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.181 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.632 ' O ' HD12 ' A' ' 49' ' ' ILE . 24.7 m -84.12 162.0 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.6 p -45.71 -32.31 2.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -64.4 -50.35 67.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -53.39 -48.85 68.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.683 HD11 HG23 ' A' ' 44' ' ' VAL . 5.4 mp -66.43 -65.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -40.65 -39.48 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -63.12 -43.37 98.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.9 m -71.4 -48.43 49.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -43.17 -37.49 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -60.45 -62.26 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.6 m -47.94 -60.36 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.417 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 39.0 p-10 -125.26 86.58 56.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.727 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -15.25 36.9 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.528 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 36.3 t -118.07 35.2 4.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.58 -131.82 3.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.4 p -163.13 167.07 22.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.438 ' CG2' ' HB ' ' A' ' 72' ' ' ILE . 11.0 tt -128.38 118.9 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 96.5 p -102.02 140.26 36.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -165.89 177.43 7.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.2 p -141.64 150.33 41.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.185 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 49.4 p -130.26 -67.8 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 68' ' ' PHE . 75.1 m -117.13 96.25 5.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.484 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 0.3 OUTLIER 32.64 35.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.507 ' N ' ' O ' ' A' ' 66' ' ' SER . 21.2 m-85 -145.6 168.91 19.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.7 m -127.38 154.17 45.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -145.98 127.44 15.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.465 ' HB3' HD21 ' A' ' 82' ' ' LEU . 30.1 tttt -113.83 100.35 8.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.438 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 86.0 mt -89.36 106.75 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.136 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -85.8 133.76 33.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.433 ' CZ ' HG23 ' A' ' 49' ' ' ILE . 21.8 m-85 -91.13 -46.29 8.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.528 ' HB2' ' HA ' ' A' ' 58' ' ' CYS . . . -57.43 -39.51 76.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -83.47 -8.77 59.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.8 mmt 54.15 47.22 23.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -160.5 158.73 29.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -98.71 117.42 33.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 38.5 tpp -89.63 112.24 23.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.545 ' C ' HD22 ' A' ' 82' ' ' LEU . 15.9 t-20 -83.68 143.24 30.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.68 HD22 ' N ' ' A' ' 82' ' ' LEU . 1.6 mm? -115.15 -41.84 3.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.442 ' OG1' ' CD1' ' A' ' 68' ' ' PHE . 2.8 t -59.99 -44.36 94.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.4 p -107.43 -25.68 11.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.62 6.76 85.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.457 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -75.38 171.08 14.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -126.44 151.65 47.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 33.0 mtm180 -144.37 170.95 15.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -108.6 158.64 17.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.446 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 30.0 pt -143.09 145.75 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -148.35 154.66 40.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 20.1 ttp85 -115.88 101.29 8.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -128.06 154.51 78.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 152.15 69.19 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.641 2.228 . . . . 0.0 112.364 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 19' ' ' GLN . 20.5 p90 -119.56 119.76 34.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 47.2 p -174.02 148.1 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.836 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.3 t -44.39 -53.35 6.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 151.02 -157.61 27.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.544 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.409 ' HD3' HG13 ' A' ' 10' ' ' VAL . 53.9 Cg_endo -69.79 145.54 57.28 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.363 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 101' ' ' SER . 7.4 m -61.2 120.34 10.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 100' ' ' SER . 86.4 p 35.14 42.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 m -120.96 102.14 8.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.878 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.8 p -155.75 144.85 20.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.837 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.63 152.85 8.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -147.94 152.43 37.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 t -169.18 148.68 4.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.26 -178.9 45.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -147.91 159.25 44.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -104.0 20.46 18.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.4 m -125.64 131.86 71.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.177 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -119.15 102.69 8.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -125.8 127.87 46.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -111.49 133.95 53.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -105.06 153.41 21.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.1 m -96.57 -50.55 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.9 m -85.05 147.82 26.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 57.15 48.21 15.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.6 m -129.15 119.01 23.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -92.32 139.58 30.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -109.65 119.78 40.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.75 163.11 14.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.633 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 10.9 m95 -112.93 153.81 27.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.798 0.332 . . . . 0.0 110.921 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 22' ' ' TRP . 15.9 m-85 -145.49 156.46 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -137.76 142.54 40.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.431 ' HB2' ' CZ2' ' A' ' 31' ' ' TRP . 39.3 tp -72.07 136.08 46.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.71 158.99 16.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -57.27 -35.49 69.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -59.65 -30.11 68.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.29 -40.56 1.96 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.499 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -79.85 144.17 33.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.32 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.431 ' CZ2' ' HB2' ' A' ' 25' ' ' LEU . 25.5 m95 -84.05 138.7 32.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -119.12 123.23 43.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.4 ttt -52.75 154.53 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.811 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.528 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 20.2 m-85 -70.08 135.43 49.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -146.74 146.55 26.95 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.57 0.7 . . . . 0.0 110.931 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 127.2 14.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -80.17 173.28 12.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.851 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 42' ' ' CYS . 36.1 p -44.4 161.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -52.27 -45.66 65.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.0 p -57.71 -70.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 42' ' ' CYS . 51.1 mt-30 -84.1 23.73 1.02 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 38' ' ' THR . 42.2 t -36.87 117.67 0.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.7 m -102.88 -176.24 3.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.821 HG23 HD11 ' A' ' 49' ' ' ILE . 26.7 m -86.06 134.43 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.098 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.745 ' O ' HD12 ' A' ' 49' ' ' ILE . 15.0 m -90.26 158.87 16.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.1 p -38.79 -43.82 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -54.97 -57.46 11.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -51.36 -51.91 50.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.821 HD11 HG23 ' A' ' 44' ' ' VAL . 5.0 mp -55.7 -62.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.486 ' OE2' ' CG ' ' A' ' 54' ' ' LYS . 13.9 tm-20 -48.81 -55.85 10.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -42.93 -41.96 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.2 m -72.35 -59.68 2.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -42.29 -28.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.486 ' CG ' ' OE2' ' A' ' 50' ' ' GLU . 35.3 mtmt -64.26 -62.93 1.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 56' ' ' ASN . 4.5 t -62.35 -44.46 96.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 23.3 p-10 -119.52 81.43 23.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -16.85 37.89 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.724 2.283 . . . . 0.0 112.339 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 68.4 m -125.53 36.75 4.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.99 -140.39 5.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.2 p -162.3 141.07 9.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.833 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.559 ' O ' HG23 ' A' ' 61' ' ' ILE . 11.5 tt -102.63 102.65 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 83.2 p -87.0 123.49 32.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 13.3 p90 -146.99 138.02 23.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.6 p -117.69 118.63 32.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.175 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.8 p -86.0 -174.8 5.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.187 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 68' ' ' PHE . 2.7 t -45.03 116.72 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' SER . 11.5 ptpt 38.0 28.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 66' ' ' SER . 4.7 m-85 -136.44 164.63 27.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.1 m -136.18 145.07 45.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.562 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 89.7 m-85 -154.28 133.54 12.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.519 ' HB3' HD21 ' A' ' 82' ' ' LEU . 20.5 tttp -127.98 108.8 10.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.452 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 92.0 mt -98.72 98.57 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -84.74 128.19 34.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -84.4 -46.42 11.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.33 -44.87 54.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -82.8 -2.69 55.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.6 mmt 47.27 47.46 16.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -153.75 161.5 42.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.461 ' NE2' ' OD1' ' A' ' 81' ' ' ASN . 15.6 tt0 -100.18 116.44 32.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.474 ' HA ' ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -92.37 106.52 18.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.563 ' C ' HD22 ' A' ' 82' ' ' LEU . 2.5 m120 -87.95 132.43 34.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.782 HD22 ' N ' ' A' ' 82' ' ' LEU . 0.7 OUTLIER -109.17 -39.9 5.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.919 HG23 HG23 ' A' ' 84' ' ' THR . 5.5 t -44.94 -44.34 9.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.156 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.919 HG23 HG23 ' A' ' 83' ' ' THR . 6.8 p -112.96 -25.25 9.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.89 30.67 20.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -96.11 174.0 7.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.694 0.283 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -123.68 127.47 48.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -128.5 177.39 7.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.2 mt -119.59 166.4 13.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.633 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 26.7 pt -144.99 174.57 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -171.46 155.13 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.1 ttp85 -117.83 128.33 54.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.445 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -161.34 156.35 20.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 0.0 111.069 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.445 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 54.0 Cg_endo -69.73 161.69 44.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.258 . . . . 0.0 112.357 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -66.28 -70.75 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.7 t -105.75 128.16 53.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.9 m -123.13 100.41 6.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 158.01 -179.29 33.83 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -174.46 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.361 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.1 m -110.2 163.66 13.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.2 m -91.12 -52.07 5.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.53 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -91.63 131.97 36.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.819 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -132.92 177.32 7.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.05 -74.29 0.16 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.459 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 6' ' ' SER . 1.2 t -151.8 174.74 13.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 5' ' ' SER . 2.0 m -36.61 119.61 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.73 -142.77 45.58 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -120.89 -51.94 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 57.1 44.41 22.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.0 t -59.65 -35.89 62.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.23 43.91 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -130.72 36.35 3.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 31.5 ttm -162.19 152.43 16.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -107.63 123.41 48.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.5 p -154.04 155.57 35.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.9 p -78.24 -51.3 10.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -57.52 105.47 0.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.9 m -156.24 132.29 9.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.161 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -103.47 130.37 50.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -98.49 125.03 43.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.561 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -107.28 158.23 15.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.508 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.531 ' CZ2' ' HD3' ' A' ' 92' ' ' ARG . 12.5 m95 -110.32 160.75 16.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 22' ' ' TRP . 47.1 m-85 -156.09 159.15 38.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.446 ' CD1' ' O ' ' A' ' 24' ' ' TYR . 14.5 p90 -144.94 124.84 13.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.9 tp -48.27 140.66 7.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -109.75 175.74 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -75.81 -17.62 59.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.3 m -78.23 0.56 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.9 -44.69 1.78 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -82.26 172.15 13.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.79 0.329 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -97.39 149.58 21.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -125.78 127.69 46.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.3 ttt -56.02 140.66 42.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CD2' ' HB3' ' A' ' 22' ' ' TRP . 16.6 m-85 -58.79 136.79 57.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -151.6 155.76 34.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.6 0.714 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 123.48 10.15 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.691 2.261 . . . . 0.0 112.322 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -47.66 -70.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.409 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 33.0 p -154.22 177.37 11.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -53.56 -54.19 40.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 41' ' ' GLN . 5.9 t -63.95 129.28 39.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' SER . 10.2 mm-40 36.62 40.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 38' ' ' THR . 13.8 p -40.25 139.8 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.505 ' CB ' HG21 ' A' ' 65' ' ' THR . 1.3 t -68.48 -179.53 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.573 HG23 HD11 ' A' ' 49' ' ' ILE . 16.7 m -83.79 126.97 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.552 ' O ' HD12 ' A' ' 49' ' ' ILE . 14.1 m -81.98 157.22 24.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 45' ' ' SER . 31.1 p -35.23 -38.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -60.39 -57.52 12.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.61 -65.59 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.769 ' H ' HD12 ' A' ' 49' ' ' ILE . 5.1 mp -42.79 -56.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -54.41 -44.32 72.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -57.34 -30.28 64.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.0 t -76.15 -63.84 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 57' ' ' PRO . 7.4 t80 -45.83 -25.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -53.25 -51.14 63.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.411 ' CG2' ' N ' ' A' ' 56' ' ' ASN . 1.4 t -85.78 -39.04 17.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.436 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 22.9 p-10 -122.38 81.46 46.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.602 0.715 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 53' ' ' PHE . 54.1 Cg_endo -69.71 -21.05 34.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.236 . . . . 0.0 112.364 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.573 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 3.0 t -119.13 34.43 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -116.72 -133.29 5.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.5 p -164.4 147.55 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.868 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.533 ' O ' HG23 ' A' ' 61' ' ' ILE . 17.1 tt -114.82 115.34 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.6 p -100.09 115.22 29.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 70' ' ' TYR . 39.0 p90 -132.36 160.66 35.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.0 p -129.16 155.92 44.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.505 HG21 ' CB ' ' A' ' 43' ' ' SER . 36.5 p -141.58 -175.01 4.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.096 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.484 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 58.0 m -33.39 99.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.587 ' HE2' ' CE1' ' A' ' 68' ' ' PHE . 2.1 pttm 37.11 48.73 0.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.587 ' CE1' ' HE2' ' A' ' 67' ' ' LYS . 18.2 m-85 -149.19 163.72 36.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.8 m -136.27 146.22 46.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 98.1 m-85 -152.25 137.55 17.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.3 tttt -129.79 106.44 8.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.61 HG23 HD13 ' A' ' 90' ' ' ILE . 91.1 mt -93.78 97.41 7.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -80.83 112.94 18.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -70.43 -48.96 53.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 58' ' ' CYS . . . -51.14 -35.67 36.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -95.09 -3.37 48.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.4 mmt 46.84 53.23 10.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -158.29 148.74 20.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.459 ' NE2' HH21 ' A' ' 88' ' ' ARG . 43.9 tt0 -95.12 103.61 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 49.1 tpp -78.14 113.25 15.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.676 ' C ' HD22 ' A' ' 82' ' ' LEU . 21.6 t30 -85.96 140.51 30.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.785 HD22 ' N ' ' A' ' 82' ' ' LEU . 0.6 OUTLIER -114.57 -48.4 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.473 HG23 HG23 ' A' ' 84' ' ' THR . 1.4 t -39.82 -43.02 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.473 HG23 HG23 ' A' ' 83' ' ' THR . 23.2 p -116.57 -24.2 7.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.78 20.05 41.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -87.72 170.17 11.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 -122.74 154.32 38.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.459 HH21 ' NE2' ' A' ' 79' ' ' GLN . 36.1 mtm180 -155.07 161.12 41.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 89' ' ' LEU . 3.5 mm? -101.49 155.64 17.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.61 HD13 HG23 ' A' ' 72' ' ' ILE . 16.4 pt -131.42 158.63 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.465 ' CG ' ' HB2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -148.89 152.84 37.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.531 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 18.0 ttp85 -121.09 106.53 11.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -133.31 152.66 79.78 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.614 0.721 . . . . 0.0 111.089 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 145.94 58.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.561 ' CE1' ' HA3' ' A' ' 21' ' ' GLY . 28.1 m-85 -62.92 127.65 32.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.3 t -83.22 84.84 7.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 90.7 p -112.93 170.79 7.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -62.2 165.16 22.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -11.35 30.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.4 t -146.54 170.28 17.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.7 t -108.81 -48.03 3.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.812 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.529 -179.963 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 m -160.03 112.48 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.5 p -104.0 42.18 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.65 70.81 0.17 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -140.59 119.03 12.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 110.843 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.1 p -131.64 140.08 49.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.33 -135.33 2.3 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -111.89 152.87 27.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -61.81 145.95 51.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.3 m -58.86 139.13 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -106.83 170.32 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -85.3 89.18 7.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.6 mmt -128.28 -177.49 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -57.41 115.54 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 51.1 p -100.69 125.06 47.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 t -93.07 174.06 7.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -40.11 101.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.1 m -112.45 125.04 53.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.409 ' CD ' ' HB2' ' A' ' 95' ' ' PHE . 28.6 pt20 -76.03 132.6 40.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -107.72 120.02 41.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -109.14 171.61 15.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.617 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 8.8 m95 -123.31 152.14 41.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.839 0.352 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 22' ' ' TRP . 15.8 m-85 -141.62 154.21 45.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.464 ' CD2' ' O ' ' A' ' 32' ' ' HIS . 45.1 p90 -137.11 124.55 22.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.7 tp -50.16 154.37 1.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . -118.61 146.66 44.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -50.37 -34.53 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 73.6 m -67.34 -26.34 66.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.38 -40.73 1.81 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.686 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -78.97 133.75 36.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.736 0.303 . . . . 0.0 110.936 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 22.2 m95 -74.35 149.02 40.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 72.4 m-70 -128.24 127.3 42.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.404 ' HE1' ' CE2' ' A' ' 95' ' ' PHE . 7.2 ttp -62.32 142.91 57.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.588 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 60.1 m-85 -55.68 165.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -171.98 145.56 1.63 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.608 0.718 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 142.0 46.9 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.718 2.279 . . . . 0.0 112.377 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 38' ' ' THR . 1.6 t70 -85.33 -176.15 6.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 37' ' ' ASP . 13.1 m -36.62 154.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.189 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -50.84 -44.69 59.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' GLN . 94.1 p -54.92 109.77 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 40' ' ' SER . 21.4 pt20 35.03 51.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.5 p -45.2 168.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.577 ' HB3' HG21 ' A' ' 65' ' ' THR . 95.2 p -85.31 -176.59 6.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.5 m -80.84 125.47 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.2 m -81.19 166.85 20.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.83 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 p -43.44 -35.18 1.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -68.68 -61.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.57 -42.15 7.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 19.0 mt -66.09 -63.7 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.422 ' HB2' ' CD1' ' A' ' 22' ' ' TRP . 13.0 tm-20 -40.36 -42.28 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -63.52 -52.0 63.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.1 t -55.11 -38.01 67.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -63.94 -40.13 95.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -52.2 -64.15 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.506 HG23 ' N ' ' A' ' 56' ' ' ASN . 7.3 t -62.92 -47.38 83.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.506 ' N ' HG23 ' A' ' 55' ' ' THR . 2.8 m120 -117.82 84.52 20.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.673 0.749 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -9.07 25.2 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.667 2.244 . . . . 0.0 112.337 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.5 p -122.67 -22.38 5.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.75 174.41 39.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.435 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.52 153.17 44.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 110.856 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.701 ' O ' HG23 ' A' ' 61' ' ' ILE . 17.2 tt -106.67 106.59 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.8 p -90.3 116.75 28.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 52.6 p90 -133.38 172.48 12.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.1 p -145.56 137.81 25.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.577 HG21 ' HB3' ' A' ' 43' ' ' SER . 12.2 t -175.34 133.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.49 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 1.3 t 74.99 55.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.485 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 8.2 ptmt 34.62 34.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.49 ' CD2' ' O ' ' A' ' 66' ' ' SER . 31.7 m-85 -151.09 119.15 6.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.4 m -80.36 157.54 26.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.565 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 60.9 m-85 -153.82 136.71 15.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.496 ' HB3' HD21 ' A' ' 82' ' ' LEU . 31.2 tttt -126.89 126.39 43.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.4 mt -112.45 111.07 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -90.81 134.47 34.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -89.66 -47.1 8.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.62 -56.99 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -71.69 -4.33 26.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.431 ' C ' HG12 ' A' ' 90' ' ' ILE . 3.5 mmt 50.65 48.61 22.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -155.93 161.59 40.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -99.99 121.59 41.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.469 ' N ' ' O ' ' A' ' 71' ' ' LYS . 40.0 tpp -94.24 116.47 28.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.756 ' C ' HD22 ' A' ' 82' ' ' LEU . 2.5 m120 -87.63 145.22 26.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.756 HD22 ' C ' ' A' ' 81' ' ' ASN . 0.6 OUTLIER -115.22 -37.71 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.674 HG23 HG23 ' A' ' 84' ' ' THR . 5.1 t -61.1 -50.0 75.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.674 HG23 HG23 ' A' ' 83' ' ' THR . 31.0 p -108.62 -25.87 10.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.33 22.34 54.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -76.98 173.83 11.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.748 0.309 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -135.99 140.56 44.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -154.26 133.86 12.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.9 mp -70.39 165.99 21.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.617 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 20.1 pt -137.75 166.08 25.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.3 pttt -159.38 148.49 18.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.919 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.8 ttp85 -110.77 114.83 28.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -146.43 154.24 48.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.529 0.68 . . . . 0.0 111.102 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 145.02 55.99 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.345 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.409 ' HB2' ' CD ' ' A' ' 19' ' ' GLN . 24.3 m-85 -43.13 -47.17 6.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.8 t -70.05 131.61 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 m -60.6 -43.52 97.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -131.34 -154.61 7.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -13.12 34.15 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.8 t -145.35 169.51 18.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.0 t -95.95 -53.27 3.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 m -43.6 -56.87 3.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.6 p 45.58 41.92 7.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.91 111.77 4.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -98.26 96.86 8.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 p -108.73 168.62 9.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.69 50.39 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -134.83 112.15 10.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -66.02 134.43 52.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.495 ' O ' HG23 ' A' ' 10' ' ' VAL . 33.4 m -116.32 121.43 67.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.161 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -165.47 137.48 4.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -162.58 175.71 11.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 58.7 tpp -116.41 -42.5 3.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -145.79 134.64 22.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.9 p -130.15 146.02 51.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.6 m -64.76 -54.14 36.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -71.6 104.93 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.7 m -141.14 108.57 5.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.107 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -86.26 130.44 34.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -93.03 120.86 33.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -108.06 168.54 13.86 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -120.77 129.36 53.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.755 0.312 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -123.46 147.47 47.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 32' ' ' HIS . 33.9 p90 -128.82 131.07 47.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.833 HD12 ' CE2' ' A' ' 31' ' ' TRP . 10.2 tt -72.52 123.63 23.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.589 ' O ' HD23 ' A' ' 25' ' ' LEU . . . -78.1 156.84 29.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.071 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -53.63 -35.67 61.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 m -65.74 -33.48 75.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.14 33.38 1.25 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -131.98 123.21 26.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.771 0.319 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.833 ' CE2' HD12 ' A' ' 25' ' ' LEU . 59.2 m95 -77.74 110.13 12.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.403 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 88.6 m-70 -108.11 128.94 55.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.841 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.0 ttt -57.66 154.3 11.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.474 ' CD1' HD11 ' A' ' 49' ' ' ILE . 16.8 m-85 -75.29 120.55 20.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -131.32 146.88 63.91 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.557 0.694 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 116.51 4.59 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.733 2.289 . . . . 0.0 112.334 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.4 ' OD1' HG22 ' A' ' 38' ' ' THR . 4.5 t70 -76.02 159.69 30.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.4 HG22 ' OD1' ' A' ' 37' ' ' ASP . 14.9 t -46.93 165.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -51.55 -49.91 61.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.7 t -40.31 -61.56 0.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -110.11 37.8 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.3 p -37.89 116.64 0.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.3 p -106.34 178.9 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 m -87.4 136.78 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.13 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.3 m -84.52 160.07 20.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.7 p -44.01 -28.42 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 48' ' ' ASP . 31.9 tt0 -63.64 -70.36 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' GLU . 6.4 t0 -36.82 -57.94 0.78 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.474 HD11 ' CD1' ' A' ' 34' ' ' PHE . 20.1 mt -50.78 -62.4 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -45.91 -43.65 13.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -59.07 -47.24 85.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.9 m -65.43 -33.27 75.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 53' ' ' PHE . 5.1 t80 -74.86 -34.94 62.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -60.53 -55.86 28.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -54.02 -35.58 62.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.411 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 31.2 t30 -151.41 105.0 2.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.647 0.737 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 56' ' ' ASN . 54.0 Cg_endo -69.76 -18.09 37.19 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.337 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.533 ' C ' ' HB2' ' A' ' 75' ' ' ALA . 30.0 p -115.69 40.35 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.55 -152.28 9.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.533 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.5 p -155.53 143.19 19.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.705 ' O ' HG23 ' A' ' 61' ' ' ILE . 18.3 tt -108.19 100.8 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.2 p -85.49 118.48 25.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 12.0 p90 -145.79 134.25 21.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.5 p -116.0 128.72 55.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.2 p -97.98 -175.22 3.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 68' ' ' PHE . 13.8 t -42.65 119.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 66' ' ' SER . 0.3 OUTLIER 34.04 32.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.509 ' N ' ' O ' ' A' ' 66' ' ' SER . 5.4 m-85 -142.81 161.79 37.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 82' ' ' LEU . 12.0 m -135.49 147.36 48.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.574 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 92.8 m-85 -154.38 131.6 11.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.449 ' HB3' HD21 ' A' ' 82' ' ' LEU . 30.2 tttt -129.29 105.15 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.468 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 83.9 mt -92.34 97.32 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.6 116.4 18.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -74.51 -49.86 20.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.533 ' HB2' ' C ' ' A' ' 58' ' ' CYS . . . -47.25 -52.81 14.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.128 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -75.62 -6.07 48.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.415 ' C ' HG12 ' A' ' 90' ' ' ILE . 5.3 mmt 52.35 52.86 13.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.565 ' HB3' HD13 ' A' ' 89' ' ' LEU . 10.7 pttt -161.26 155.69 23.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 88' ' ' ARG . 24.5 tt0 -97.9 116.32 29.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 52.4 tpp -91.2 111.83 23.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.719 ' C ' HD22 ' A' ' 82' ' ' LEU . 16.4 t30 -82.51 140.33 33.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.72 HD22 ' N ' ' A' ' 82' ' ' LEU . 0.8 OUTLIER -115.88 -41.61 3.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.418 ' OG1' ' CE2' ' A' ' 68' ' ' PHE . 1.9 t -43.62 -42.38 5.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.189 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 63.1 p -118.85 -25.37 6.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.12 14.12 46.61 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -76.1 170.35 16.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.733 0.301 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -123.6 129.96 51.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 79' ' ' GLN . 65.9 mtt180 -132.69 158.55 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.565 HD13 ' HB3' ' A' ' 78' ' ' LYS . 3.8 mm? -105.48 161.25 14.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.415 HG12 ' C ' ' A' ' 77' ' ' MET . 7.6 pt -133.32 173.0 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -167.1 153.85 8.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -113.09 109.29 18.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -140.61 148.81 54.73 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.56 0.695 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 156.11 64.32 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.372 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -42.88 162.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 97' ' ' SER . 1.9 m -81.34 78.53 8.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 96' ' ' SER . 21.3 t -34.84 143.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 148.33 -176.07 27.31 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.456 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -6.56 18.9 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.624 2.216 . . . . 0.0 112.325 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 96.1 p -75.64 74.74 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 t 39.53 49.46 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.445 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -100.96 87.06 3.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 110.834 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 m -49.93 151.31 1.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.62 -106.19 2.89 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -139.26 177.14 8.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.828 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -126.24 110.52 13.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . -80.6 -85.16 0.67 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 7' ' ' GLY . 11.6 m120 -36.61 150.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -51.36 153.63 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.468 HG21 ' HG2' ' A' ' 99' ' ' PRO . 7.3 p -68.21 -28.65 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -165.12 177.51 7.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.17 42.87 2.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.3 ttt -119.23 129.73 55.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.58 123.12 18.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.0 p -135.32 149.53 49.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.177 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -126.32 43.35 3.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -112.76 93.86 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.811 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.5 m -96.77 101.74 13.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.186 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -86.01 124.96 33.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -93.98 115.79 28.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.35 161.36 14.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.558 ' CZ2' ' HD3' ' A' ' 92' ' ' ARG . 18.9 m95 -109.82 147.19 33.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.803 0.335 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.5 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 26.7 m-85 -132.33 148.71 52.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.533 ' HB3' ' CE2' ' A' ' 34' ' ' PHE . 22.8 p90 -129.99 127.79 40.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.0 tp -62.71 154.48 29.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.16 163.68 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.414 ' C ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -52.66 -45.85 66.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 m -60.0 -31.55 70.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.61 41.25 1.04 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -132.81 138.05 46.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.758 0.313 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -82.87 113.79 20.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -102.95 116.15 31.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.5 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 25.3 ttt -52.66 113.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 24' ' ' TYR . 13.1 m-85 -34.73 127.5 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -148.13 153.26 41.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.658 0.742 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 109.46 2.32 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -60.33 162.7 5.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.8 p -38.27 155.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -51.14 -42.66 60.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 t -52.07 -57.0 10.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.1 mp0 -111.63 41.6 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 16.4 p -47.92 121.27 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.9 m -109.06 177.39 4.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.66 HG23 HD11 ' A' ' 49' ' ' ILE . 27.6 m -75.18 127.75 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.167 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.0 m -84.8 164.4 18.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.6 p -39.02 -43.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -42.47 -59.29 1.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.432 ' OD1' HD11 ' A' ' 61' ' ' ILE . 5.4 t70 -56.98 -61.85 2.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.66 HD11 HG23 ' A' ' 44' ' ' VAL . 4.5 mp -43.09 -40.22 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -70.19 -67.75 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -40.92 -36.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 t -69.82 -54.05 15.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.487 ' HA ' ' CE2' ' A' ' 74' ' ' PHE . 38.8 t80 -50.98 -44.23 60.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -50.13 -57.93 6.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.3 m -46.05 -46.22 16.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.402 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 30.2 t30 -147.09 105.05 3.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.634 0.731 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 56' ' ' ASN . 53.8 Cg_endo -69.77 -13.78 35.14 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.712 2.275 . . . . 0.0 112.347 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.6 p -121.39 41.06 3.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.25 -165.23 11.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.1 p -133.19 149.11 52.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.652 HG22 ' O ' ' A' ' 72' ' ' ILE . 7.8 tt -110.22 107.79 23.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.9 p -97.75 113.23 24.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 70' ' ' TYR . 17.7 p90 -133.46 151.65 51.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.7 p -123.53 126.16 46.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 66' ' ' SER . 2.1 p -87.19 -175.69 5.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.193 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 65' ' ' THR . 5.1 p -34.09 -71.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.489 ' HG3' ' CE2' ' A' ' 68' ' ' PHE . 12.9 ptpt -131.62 47.11 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.489 ' CE2' ' HG3' ' A' ' 67' ' ' LYS . 81.6 m-85 -159.01 161.74 36.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.5 m -128.19 153.0 47.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 97.1 m-85 -154.08 136.88 15.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.4 ttmt -122.88 107.36 11.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.652 ' O ' HG22 ' A' ' 61' ' ' ILE . 75.8 mt -102.94 103.01 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.08 131.67 34.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.487 ' CE2' ' HA ' ' A' ' 53' ' ' PHE . 30.5 m-85 -84.28 -47.17 11.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.22 -44.55 68.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -77.58 -9.65 59.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.6 mmt 53.32 46.35 26.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -162.04 150.15 14.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.443 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 31.4 tt0 -95.2 119.94 34.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 45.2 ttm -91.95 112.46 24.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.759 ' C ' HD22 ' A' ' 82' ' ' LEU . 24.3 t-20 -83.07 145.45 29.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.759 HD22 ' C ' ' A' ' 81' ' ' ASN . 0.9 OUTLIER -119.47 -44.33 2.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.443 HG22 ' OD1' ' A' ' 81' ' ' ASN . 1.9 t -54.18 -41.29 68.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.8 p -113.86 -24.54 9.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.89 14.18 65.36 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.493 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.485 ' N ' ' HB3' ' A' ' 81' ' ' ASN . 3.3 mmmm -73.53 173.81 9.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.727 0.299 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -142.02 137.25 30.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.443 ' CG ' ' HB3' ' A' ' 79' ' ' GLN . 14.0 ptp180 -148.92 166.75 27.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.7 mp -98.91 165.27 11.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.1 pt -139.1 144.39 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -136.27 153.11 51.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.558 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 26.1 ttp85 -119.8 112.25 19.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.669 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -148.27 163.38 26.86 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 111.077 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.669 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 53.3 Cg_endo -69.8 160.94 47.83 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.62 2.213 . . . . 0.0 112.311 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -47.26 -56.76 6.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 64.03 41.25 6.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 70.2 p -156.96 166.88 32.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -92.23 136.01 13.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.538 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.468 ' HG2' HG21 ' A' ' 10' ' ' VAL . 53.8 Cg_endo -69.77 -7.67 21.64 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.369 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.4 t -48.31 103.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.2 m -139.19 175.45 9.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.498 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 t -127.16 85.7 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.356 . . . . 0.0 110.863 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -91.92 104.74 17.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.95 125.93 0.26 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 t -115.97 -59.75 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -157.88 164.97 36.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.828 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.21 104.14 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.465 ' O ' HG23 ' A' ' 10' ' ' VAL . 35.8 m-20 -95.19 -52.46 4.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.945 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 53.42 41.91 32.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 8' ' ' ASN . 95.8 t -120.75 126.73 75.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.49 112.11 20.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.46 147.17 1.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.6 mmt -123.45 150.69 43.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -95.97 86.78 4.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.7 m -158.26 146.88 18.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t -93.85 42.22 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -110.59 -17.56 13.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.0 m -55.58 102.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -90.27 121.65 32.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.445 ' HB3' ' NH1' ' A' ' 92' ' ' ARG . 90.1 m95 -88.32 124.28 33.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.07 157.11 15.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.535 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.555 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 14.4 m95 -104.88 136.38 44.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.479 ' CE2' ' SD ' ' A' ' 33' ' ' MET . 34.1 m-85 -129.58 168.12 16.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 34' ' ' PHE . 29.0 p90 -152.89 125.71 8.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.44 ' HG ' ' N ' ' A' ' 26' ' ' ALA . 40.4 tp -55.32 157.57 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.44 ' N ' ' HG ' ' A' ' 25' ' ' LEU . . . -116.47 162.41 17.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.079 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -50.1 -52.21 36.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.8 m -61.43 -31.74 71.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.417 ' HA2' HD11 ' A' ' 25' ' ' LEU . . . 115.89 43.13 0.69 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.449 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 13.8 tptt -135.35 117.56 15.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.938 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -69.7 121.64 17.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.48 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 39.6 m-70 -113.55 118.31 34.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.498 ' HE3' ' CZ ' ' A' ' 95' ' ' PHE . 5.1 ttt -58.19 120.02 7.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.529 ' CG ' ' CD1' ' A' ' 49' ' ' ILE . 84.5 m-85 -40.04 146.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -138.1 145.43 47.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 145.95 58.63 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.682 2.255 . . . . 0.0 112.311 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -160.66 127.9 4.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.09 -54.81 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -109.83 -56.1 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.2 m -72.13 100.66 2.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 42' ' ' CYS . 45.6 tt0 59.46 43.37 16.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.453 ' C ' ' O ' ' A' ' 41' ' ' GLN . 42.4 t -34.0 141.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.9 p -165.64 -175.03 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 m -102.26 141.05 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.29 149.47 26.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 76.8 p -42.13 -34.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -59.94 -45.68 91.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.407 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 33.8 t70 -62.06 -63.04 1.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.529 ' CD1' ' CG ' ' A' ' 34' ' ' PHE . 42.9 mt -45.85 -40.54 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 52' ' ' SER . 0.4 OUTLIER -73.28 -67.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -36.7 -29.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 50' ' ' GLU . 54.5 m -77.35 -67.52 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 2.1 t80 -42.53 -25.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.29 -66.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.492 HG23 ' N ' ' A' ' 56' ' ' ASN . 13.4 t -71.21 -43.94 66.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.492 ' N ' HG23 ' A' ' 55' ' ' THR . 18.6 p-10 -113.32 77.69 3.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -13.13 34.06 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.615 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 4.0 m -125.91 37.1 4.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.47 -133.71 4.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.4 p -168.56 164.17 12.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.363 . . . . 0.0 110.813 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.572 ' O ' HG23 ' A' ' 61' ' ' ILE . 15.5 tt -137.34 106.26 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.5 p -83.99 139.44 32.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -166.55 176.15 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.832 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.7 p -129.39 162.78 27.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.113 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 42' ' ' CYS . 65.2 p -133.81 -73.27 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 11.3 m -124.31 89.08 3.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 66' ' ' SER . 0.0 OUTLIER 48.13 30.64 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.435 ' CD1' ' O ' ' A' ' 67' ' ' LYS . 21.0 m-85 -142.99 168.54 19.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 m -126.51 153.69 44.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -152.59 131.19 12.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -113.32 99.41 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 77.4 mt -81.02 102.3 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.32 119.93 29.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.417 ' CE1' ' CH2' ' A' ' 22' ' ' TRP . 23.2 m-85 -79.44 -43.57 23.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 58' ' ' CYS . . . -49.78 -30.11 9.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.061 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -103.73 -6.85 21.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.42 ' C ' HG12 ' A' ' 90' ' ' ILE . 76.8 mmm 55.14 50.31 15.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -161.09 156.5 24.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -95.12 145.82 24.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.5 tpp -107.42 121.89 45.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -96.42 105.8 17.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.688 ' N ' HD12 ' A' ' 82' ' ' LEU . 2.0 mp -93.19 -12.12 31.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.467 HG23 HG23 ' A' ' 84' ' ' THR . 5.5 t -81.13 -38.25 27.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.467 HG23 HG23 ' A' ' 83' ' ' THR . 74.2 p -115.94 -25.99 7.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.37 35.67 10.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -108.53 175.72 5.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.725 0.298 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -118.72 129.25 55.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 mtm-85 -123.7 144.37 49.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.0 mt -95.9 154.39 17.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.555 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 21.3 pt -132.5 145.98 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.1 pttm -134.06 145.65 49.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.488 ' HD2' ' NE1' ' A' ' 22' ' ' TRP . 6.0 ttt85 -120.1 107.34 12.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.765 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -141.84 165.68 26.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.533 0.682 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.765 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 53.2 Cg_endo -69.84 150.51 67.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.642 2.228 . . . . 0.0 112.312 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.498 ' CZ ' ' HE3' ' A' ' 33' ' ' MET . 12.3 m-85 -40.85 -43.4 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.9 p -107.01 91.77 3.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.6 t -50.18 -62.78 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.26 -157.8 7.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.415 ' HD3' HG22 ' A' ' 10' ' ' VAL . 53.5 Cg_endo -69.81 111.5 2.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.353 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.1 p -103.68 176.28 5.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -102.32 -46.68 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -97.41 42.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.856 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -84.64 -49.86 8.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.25 96.19 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 t -64.06 116.39 5.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -160.54 110.53 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.14 -172.57 13.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -100.51 129.74 46.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -111.84 92.1 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.9 t -97.7 -36.63 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.123 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -148.44 130.35 15.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -85.97 34.52 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.0 tpt -157.18 152.28 26.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.99 159.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.3 p -118.4 111.1 18.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 t -73.77 -59.89 2.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -80.63 98.41 7.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.3 m -135.69 115.37 12.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -88.79 118.91 28.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -86.57 119.42 26.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.575 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -102.4 174.16 23.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.787 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 24.1 m95 -123.56 144.91 49.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 110.922 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 25.1 m-85 -141.51 164.98 28.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.479 ' CD1' ' O ' ' A' ' 24' ' ' TYR . 8.4 p90 -146.78 130.44 16.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.561 HD12 ' CZ2' ' A' ' 31' ' ' TRP . 2.9 tt -65.84 109.21 2.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.09 167.07 21.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.121 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 28' ' ' CYS . 7.7 pt-20 -64.3 -35.74 81.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 20.2 m -62.11 -30.23 70.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.72 -38.48 2.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.511 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -78.62 138.18 38.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.561 ' CZ2' HD12 ' A' ' 25' ' ' LEU . 28.2 m95 -77.6 127.85 33.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 46.5 m-70 -105.32 112.72 25.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.557 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 10.1 ttt -57.38 142.05 45.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.516 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 65.4 m-85 -60.2 135.42 57.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -151.15 145.8 18.44 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.566 0.698 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 110.65 2.62 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -81.68 161.61 23.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 42' ' ' CYS . 57.0 p -49.18 166.27 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.66 -45.38 73.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.7 t -47.77 -56.81 6.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -115.76 41.68 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 38' ' ' THR . 19.3 p -43.67 124.25 3.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.6 m -112.91 177.17 4.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.589 HG23 HD11 ' A' ' 49' ' ' ILE . 34.4 m -90.68 131.62 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.157 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.675 ' O ' HD12 ' A' ' 49' ' ' ILE . 58.8 m -91.79 154.23 19.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 45' ' ' SER . 82.0 p -34.33 -41.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -57.33 -58.51 7.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.46 -52.69 7.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.734 ' H ' HD12 ' A' ' 49' ' ' ILE . 3.8 mp -66.42 -64.89 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -41.87 -33.16 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -61.41 -60.41 3.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.2 m -58.69 -40.98 85.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.464 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 25.1 t80 -61.34 -52.51 64.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -48.54 -60.22 2.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.434 HG23 ' N ' ' A' ' 56' ' ' ASN . 7.7 t -55.7 -42.94 75.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.434 ' N ' HG23 ' A' ' 55' ' ' THR . 53.8 t30 -137.47 105.04 8.44 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.627 0.727 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -20.19 34.87 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.669 2.246 . . . . 0.0 112.335 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.484 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 1.8 m -115.68 41.2 2.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.81 -167.13 13.05 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.545 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.2 p -138.18 169.42 17.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.1 tt -140.46 117.62 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.1 t -99.4 144.36 28.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.427 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 29.9 p90 -164.97 173.94 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.8 p -142.27 153.9 44.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 p -104.42 -74.96 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.7 t -126.49 -72.57 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -128.27 28.87 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -140.53 173.83 11.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.6 m -131.5 155.67 47.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.482 ' HA ' HD23 ' A' ' 82' ' ' LEU . 66.7 m-85 -151.85 130.98 12.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -121.39 117.44 26.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 92.7 mt -101.62 110.73 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -92.34 128.59 38.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.464 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 18.6 m-85 -85.59 -49.36 8.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.484 ' HB2' ' HA ' ' A' ' 58' ' ' CYS . . . -52.15 -36.2 50.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.071 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -86.41 -10.23 54.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 mmt 55.23 44.12 28.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -159.53 164.79 34.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -100.06 123.64 44.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.9 tpp -91.23 116.92 29.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.747 ' C ' HD22 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -87.04 141.91 28.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.787 HD22 ' N ' ' A' ' 82' ' ' LEU . 0.7 OUTLIER -120.55 -49.61 2.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.599 HG23 HG23 ' A' ' 84' ' ' THR . 2.9 t -52.8 -48.37 66.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.599 HG23 HG23 ' A' ' 83' ' ' THR . 32.5 p -104.99 -25.97 12.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.63 13.67 75.14 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.468 ' N ' ' HB3' ' A' ' 81' ' ' ASN . 4.6 mptt -76.12 175.28 9.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.738 0.304 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.63 141.2 52.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -146.72 155.6 42.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.39 157.39 17.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.787 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 42.1 pt -132.62 146.77 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -138.1 140.65 40.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.501 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 39.0 ttp85 -110.41 100.61 9.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -126.21 152.67 73.88 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.606 0.717 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 149.22 66.65 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.73 2.286 . . . . 0.0 112.291 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.575 ' CE1' ' HA3' ' A' ' 21' ' ' GLY . 31.8 m-85 -68.26 92.85 0.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.1 p -130.44 102.23 6.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.8 m -125.41 85.74 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.816 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.72 -169.52 50.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 175.59 7.9 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.651 2.234 . . . . 0.0 112.371 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 101' ' ' SER . 84.2 p -132.56 153.82 50.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 100' ' ' SER . 68.6 m -36.06 148.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.486 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 t -85.19 -59.35 2.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 m -73.48 115.61 13.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.24 128.29 0.36 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -95.43 -49.75 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.838 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 m -114.08 43.24 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' O ' ' CD ' ' A' ' 9' ' ' GLU . . . 73.33 127.63 0.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -45.37 123.7 4.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.413 ' CD ' ' O ' ' A' ' 7' ' ' GLY . 31.0 mp0 -110.06 11.19 23.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.5 m -119.73 134.18 64.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -50.83 156.58 0.94 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -70.89 171.96 9.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.9 mmt -85.98 93.08 8.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -122.04 41.03 3.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.6 t -138.61 157.42 46.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 t -87.78 -45.44 10.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -60.0 89.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.8 m -164.13 131.66 3.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -81.74 126.57 31.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -104.65 111.62 24.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.98 167.77 30.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.55 ' CH2' ' CD1' ' A' ' 74' ' ' PHE . 22.8 m95 -119.53 138.69 53.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.758 0.313 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.502 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 3.6 m-85 -130.06 151.92 50.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 34' ' ' PHE . 7.8 p90 -141.98 123.61 15.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.474 ' HB2' ' CE2' ' A' ' 31' ' ' TRP . 7.9 tp -51.14 134.04 27.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . -94.75 177.31 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -76.67 -41.49 45.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 t -59.36 -30.65 68.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.74 -41.29 1.51 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 14.9 mmtm -79.58 136.93 36.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.766 0.317 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.474 ' CE2' ' HB2' ' A' ' 25' ' ' LEU . 15.9 m95 -73.42 141.94 46.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.412 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 39.0 m-70 -119.54 113.45 20.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.502 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 2.8 ttt -62.38 120.33 10.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 24' ' ' TYR . 96.0 m-85 -38.29 129.74 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.849 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -125.02 142.17 40.47 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 142.82 49.03 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.2 154.56 41.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.5 p -105.4 -70.17 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 40' ' ' SER . 15.1 m120 -108.6 -49.44 3.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' ASN . 57.6 m -35.48 -71.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 43' ' ' SER . 21.2 mt-30 -112.85 -9.28 13.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.6 p 38.77 25.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 41' ' ' GLN . 5.3 t -72.55 -173.79 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.506 HG23 HD11 ' A' ' 49' ' ' ILE . 3.9 m -95.64 157.35 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.24 146.15 23.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.9 p -42.12 -28.24 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -74.95 -51.45 13.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -45.79 -63.33 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.506 HD11 HG23 ' A' ' 44' ' ' VAL . 19.5 mt -49.37 -52.93 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.455 ' C ' ' OE1' ' A' ' 50' ' ' GLU . 2.2 tm-20 -51.94 -61.34 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -39.12 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.689 ' HB2' HD12 ' A' ' 61' ' ' ILE . 8.0 t -77.92 -48.11 17.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.443 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 7.3 t80 -59.1 -24.69 63.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -53.75 -61.61 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -78.48 -31.63 47.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -116.41 74.95 6.23 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -23.78 30.59 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.71 2.274 . . . . 0.0 112.333 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.494 ' C ' ' HB2' ' A' ' 75' ' ' ALA . 30.8 p -127.25 36.78 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.27 -142.88 6.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 p -151.83 139.61 19.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.689 HD12 ' HB2' ' A' ' 52' ' ' SER . 5.7 tt -104.51 117.59 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 90.5 p -93.95 124.32 37.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.539 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 10.6 p90 -146.6 133.0 19.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 69' ' ' SER . 40.7 p -118.4 136.14 53.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.185 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 t -155.01 133.34 11.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.478 ' O ' ' CG ' ' A' ' 67' ' ' LYS . 1.4 t 69.46 53.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 66' ' ' SER . 7.4 ptpp? 46.26 29.93 0.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -122.82 172.1 8.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.409 ' HA ' HG22 ' A' ' 64' ' ' THR . 6.2 p -134.75 129.81 35.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.809 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.539 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 68.4 m-85 -138.66 138.97 38.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.608 ' HB3' HD21 ' A' ' 82' ' ' LEU . 25.5 ttpt -133.86 114.72 13.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 74.3 mt -96.14 115.13 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.36 114.3 25.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.55 ' CD1' ' CH2' ' A' ' 22' ' ' TRP . 20.4 m-85 -81.54 -45.61 15.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.494 ' HB2' ' C ' ' A' ' 58' ' ' CYS . . . -51.88 -42.18 62.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.061 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -88.91 1.09 55.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.7 mmt 49.29 52.15 14.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -160.76 159.48 30.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.502 ' NE2' ' OD1' ' A' ' 81' ' ' ASN . 6.7 tm0? -100.91 121.05 41.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 71' ' ' LYS . 25.1 ttm -97.87 112.98 24.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.502 ' OD1' ' NE2' ' A' ' 79' ' ' GLN . 15.3 m-20 -89.14 140.51 29.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.713 HD22 ' N ' ' A' ' 82' ' ' LEU . 1.3 mm? -112.97 -23.37 10.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.531 HG23 HG22 ' A' ' 84' ' ' THR . 9.2 t -65.8 -40.22 91.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.531 HG22 HG23 ' A' ' 83' ' ' THR . 1.7 t -124.79 -20.57 4.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.54 16.27 66.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' H ' HG23 ' A' ' 84' ' ' THR . 6.9 mmmm -73.16 146.46 45.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.704 0.288 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -101.13 131.54 47.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -134.27 178.9 6.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.9 mt -125.35 154.13 42.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.455 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 10.6 pt -132.15 175.32 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -167.44 145.31 4.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.533 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 1.4 tpt180 -106.08 123.71 48.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -161.61 151.28 13.84 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.559 0.695 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 150.48 68.41 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.339 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -42.08 -56.56 2.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 60.4 p -147.06 143.72 28.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.9 p -77.92 -52.4 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.82 85.61 1.54 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -1.92 9.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.357 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.8 t -119.8 109.81 16.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 81.4 p -145.21 137.75 26.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.494 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.1 m -114.91 124.0 50.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.849 0.357 . . . . 0.0 110.826 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -62.91 148.65 46.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.11 104.21 2.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 t -152.48 160.41 43.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 0.0 110.874 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -88.75 -44.59 10.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.35 157.33 2.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -40.24 157.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.352 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -116.87 41.18 2.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.576 ' O ' HG12 ' A' ' 10' ' ' VAL . 39.1 t 42.05 49.17 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -75.83 177.7 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -48.07 171.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.9 ttt 51.06 42.73 28.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 15' ' ' THR . 27.0 t70 -132.81 173.57 11.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 14' ' ' ASP . 24.1 m -34.23 116.1 0.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.0 p -56.16 -176.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 62.76 47.26 4.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.415 ' O ' ' CD1' ' A' ' 20' ' ' TRP . 48.6 m -96.61 112.39 24.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -72.76 112.39 8.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.415 ' CD1' ' O ' ' A' ' 18' ' ' THR . 56.9 m95 -88.14 132.12 34.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.65 157.46 17.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.848 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 20.6 m95 -107.21 133.23 52.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.762 0.315 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.555 ' CD2' ' HB2' ' A' ' 33' ' ' MET . 4.9 m-85 -133.33 157.85 44.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 32' ' ' HIS . 30.1 p90 -144.1 123.77 13.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 26' ' ' ALA . 61.8 tp -46.72 165.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.466 ' N ' ' HG ' ' A' ' 25' ' ' LEU . . . -129.66 177.98 6.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -66.27 -58.3 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.6 t -56.05 -32.77 64.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.15 38.27 0.75 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -130.88 121.46 25.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.774 0.321 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -69.97 116.23 10.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 65.1 m-70 -95.53 129.3 42.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.555 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 11.4 ttt -83.31 118.07 23.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.649 ' CD2' ' CD1' ' A' ' 49' ' ' ILE . 92.3 m-85 -37.84 148.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -133.8 147.59 64.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.647 0.737 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 152.75 69.27 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 38' ' ' THR . 22.8 m-20 -169.11 175.59 5.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' ASP . 16.7 m -33.42 148.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 41' ' ' GLN . 9.5 m120 -93.54 -55.89 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 39' ' ' ASN . 39.6 p -34.29 94.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 39' ' ' ASN . 5.6 tt0 36.86 54.23 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' THR . 8.2 m -130.9 -174.94 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.419 ' HB2' HG22 ' A' ' 65' ' ' THR . 1.8 t -49.69 179.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.1 m -131.95 155.17 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -86.77 151.4 23.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.8 p -42.09 -40.05 2.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -63.71 -53.15 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -43.66 -67.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.649 ' CD1' ' CD2' ' A' ' 34' ' ' PHE . 24.1 mt -41.99 -55.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -51.6 -49.17 62.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -46.15 -39.63 9.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.3 m -66.61 -67.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.502 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 3.0 t80 -44.09 -38.37 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -45.89 -52.21 11.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.9 t -83.4 -40.35 19.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.159 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 31.8 p-10 -123.32 82.4 52.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.496 ' HB3' ' CE1' ' A' ' 53' ' ' PHE . 53.7 Cg_endo -69.77 -8.78 24.47 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.666 2.244 . . . . 0.0 112.38 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.7 p -125.51 37.9 4.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.02 -158.13 9.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.487 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.1 p -145.26 170.21 16.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 61' ' ' ILE . 17.3 tt -145.53 113.59 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.1 p -93.49 130.42 39.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -155.5 170.96 20.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 42' ' ' CYS . 60.5 p -132.4 170.05 15.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.419 HG22 ' HB2' ' A' ' 43' ' ' SER . 42.1 p -121.29 -58.48 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.1 t -132.34 -73.29 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -124.94 -17.38 5.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -100.35 165.53 11.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.7 m -121.08 161.96 20.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.519 ' HA ' HD23 ' A' ' 82' ' ' LEU . 85.7 m-85 -150.96 134.5 16.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -118.4 122.97 44.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 91.1 mt -105.96 99.22 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -93.21 103.45 15.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -57.68 -49.55 76.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.37 -42.5 31.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -81.31 -18.73 44.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.428 ' C ' HG12 ' A' ' 90' ' ' ILE . 7.1 mmt 61.76 43.63 9.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -162.46 157.24 22.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -97.24 113.88 25.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.479 ' HA ' ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -83.02 118.36 23.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.638 ' C ' HD22 ' A' ' 82' ' ' LEU . 2.4 m120 -81.11 143.38 32.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.718 HD22 ' N ' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -111.3 -29.91 7.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.613 HG23 ' N ' ' A' ' 84' ' ' THR . 8.2 t -73.59 -53.34 10.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.613 ' N ' HG23 ' A' ' 83' ' ' THR . 69.7 p -104.33 -22.78 13.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 81.58 20.67 63.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.487 ' N ' ' HB2' ' A' ' 81' ' ' ASN . 16.7 mtmm -75.02 174.29 9.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.728 0.299 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -134.07 140.04 46.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 68.0 mtm-85 -147.52 128.88 14.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.97 141.51 44.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.848 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 30.3 pt -109.95 176.83 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -165.85 151.98 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.51 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 5.8 ttp-105 -124.33 102.51 7.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.703 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -128.44 163.61 43.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.592 0.71 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.703 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 54.2 Cg_endo -69.72 144.43 54.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -39.13 135.49 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -47.29 -50.05 22.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.1 t -67.44 116.66 8.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -61.24 -123.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.523 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 93.37 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.721 2.281 . . . . 0.0 112.372 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.2 p -121.61 84.18 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.6 m 43.62 40.96 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.477 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.434 -0.266 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 m -78.09 -47.5 18.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.361 . . . . 0.0 110.841 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.4 p -104.23 156.93 17.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.82 94.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.433 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -44.58 125.69 4.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.935 0.398 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -64.8 -44.77 88.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.96 -86.1 1.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -169.61 174.84 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.772 0.32 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 10' ' ' VAL . 32.0 mt-10 -85.05 78.33 9.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.548 ' O ' HG12 ' A' ' 10' ' ' VAL . 39.8 t 34.12 52.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -50.82 173.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 43.54 42.75 4.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -61.88 163.29 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -156.19 122.38 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.4 t -62.76 114.29 3.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.188 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.7 t -170.72 116.61 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 t0 67.62 40.37 2.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.2 m -47.67 99.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -73.06 147.01 45.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -107.28 126.02 51.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -109.64 169.23 13.58 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.672 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 26.9 m95 -119.16 132.74 56.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.76 0.314 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -133.35 143.1 48.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 34' ' ' PHE . 36.1 p90 -117.6 129.52 55.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.645 HD13 ' CE2' ' A' ' 31' ' ' TRP . 45.8 tp -56.66 145.38 28.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.74 173.57 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -76.44 -39.73 52.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.9 t -56.92 -31.91 65.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.75 -40.34 1.86 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -78.63 143.33 36.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.645 ' CE2' HD13 ' A' ' 25' ' ' LEU . 44.2 m95 -83.99 149.19 26.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -131.69 124.13 29.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.556 ' HE1' ' CZ ' ' A' ' 95' ' ' PHE . 7.3 ttm -56.64 160.39 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.538 ' HE2' HD11 ' A' ' 72' ' ' ILE . 45.9 m-85 -77.52 112.18 14.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 34' ' ' PHE . 2.7 mp0 -119.0 148.75 45.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 134.91 29.06 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.661 2.24 . . . . 0.0 112.316 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.446 ' CB ' ' HB ' ' A' ' 65' ' ' THR . 5.3 t70 -42.07 -65.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 42.0 m -127.0 127.65 45.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -50.65 -54.72 20.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -60.27 -44.93 94.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -124.2 84.29 2.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.8 p -109.42 173.66 6.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.6 m -123.51 -63.18 1.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.9 m -131.84 156.29 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 46' ' ' SER . 33.0 m -137.13 167.39 21.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' SER . 87.0 p -37.21 -37.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.857 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -69.65 -55.69 9.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.03 -61.23 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.465 HD13 ' CD2' ' A' ' 34' ' ' PHE . 19.3 mt -48.77 -49.94 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -52.53 -52.11 56.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -49.29 -43.06 42.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.0 t -63.01 -41.34 99.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.446 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 35.7 t80 -61.59 -41.47 97.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -52.62 -63.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.3 t -68.94 -30.43 68.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -126.81 81.43 69.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -30.23 22.75 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.717 2.278 . . . . 0.0 112.366 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.455 ' CA ' ' HB2' ' A' ' 75' ' ' ALA . 79.4 m -122.95 45.16 2.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.99 -135.84 5.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.9 p -168.1 145.85 4.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.349 . . . . 0.0 110.826 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.531 ' O ' HG23 ' A' ' 61' ' ' ILE . 16.5 tt -119.81 118.08 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.0 p -103.01 97.65 7.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.437 ' HE2' HD12 ' A' ' 72' ' ' ILE . 51.1 p90 -119.28 162.04 19.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.722 HG22 ' HA ' ' A' ' 69' ' ' SER . 78.3 p -141.82 133.38 26.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 67' ' ' LYS . 77.1 p -104.38 52.01 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 t 39.94 25.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.601 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 23.1 ttpt -134.63 -51.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 67' ' ' LYS . 39.9 m-85 -158.56 137.56 11.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.722 ' HA ' HG22 ' A' ' 64' ' ' THR . 16.1 m -77.59 132.39 38.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -129.9 143.11 50.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -129.27 101.74 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.538 HD11 ' HE2' ' A' ' 34' ' ' PHE . 65.1 mt -92.32 113.41 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -97.07 100.5 11.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.446 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 24.7 m-85 -56.36 -43.32 79.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.455 ' HB2' ' CA ' ' A' ' 58' ' ' CYS . . . -54.11 -45.18 71.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.078 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -78.96 -13.44 59.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.434 ' C ' HG12 ' A' ' 90' ' ' ILE . 1.4 mmt 61.66 41.77 11.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.48 163.63 27.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -95.46 159.06 15.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 60.2 ttm -135.75 110.52 8.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -83.37 142.36 31.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.623 HD22 ' N ' ' A' ' 82' ' ' LEU . 2.1 mm? -108.45 -21.39 12.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.95 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.593 HG23 HG23 ' A' ' 84' ' ' THR . 6.3 t -76.8 -45.32 29.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.593 HG23 HG23 ' A' ' 83' ' ' THR . 70.8 p -110.39 -26.01 9.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.26 28.45 27.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -95.23 148.63 22.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.705 0.288 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -119.51 117.52 28.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -118.02 122.08 42.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.2 tp -50.01 165.79 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.672 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 38.3 pt -140.18 143.35 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.496 ' HD3' ' CD2' ' A' ' 31' ' ' TRP . 10.1 ptmm? -132.72 147.26 52.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.487 ' HD2' ' NE1' ' A' ' 22' ' ' TRP . 5.7 ttt-85 -117.88 103.88 10.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.62 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -128.25 161.4 56.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.573 0.702 . . . . 0.0 111.094 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.62 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 54.2 Cg_endo -69.81 153.73 68.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.703 2.269 . . . . 0.0 112.338 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.556 ' CZ ' ' HE1' ' A' ' 33' ' ' MET . 11.1 m-85 -58.99 105.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 95' ' ' PHE . 60.0 m -36.2 -42.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.827 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.4 p -117.42 93.31 4.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -112.13 89.35 0.52 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 168.93 20.12 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.1 t -137.37 155.03 49.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 53.5 m 52.73 42.23 31.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.487 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 t -101.02 -49.54 4.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.371 . . . . 0.0 110.82 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -68.93 -52.34 30.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.96 76.85 0.25 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.447 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -90.79 42.02 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 t -129.88 123.75 31.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.59 62.81 0.69 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.509 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -126.52 97.94 5.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.902 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -92.25 118.79 31.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.7 t -51.36 -38.15 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -158.74 134.08 8.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -46.52 170.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.5 ptt? -118.74 41.03 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -124.38 80.1 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.3 p -155.28 158.23 38.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.4 t -70.09 -51.42 31.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.01 105.35 12.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 85.9 m -154.33 132.0 11.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.202 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -88.67 131.4 35.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -101.16 124.16 46.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.88 162.68 12.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.447 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.796 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 12.9 m95 -106.55 145.65 31.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.423 ' CE2' ' HG3' ' A' ' 33' ' ' MET . 72.1 m-85 -140.9 155.37 46.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' A' ' 32' ' ' HIS . 24.7 p90 -137.27 125.34 22.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.479 HD13 ' CE2' ' A' ' 31' ' ' TRP . 15.4 tp -55.45 145.98 21.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.03 167.57 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.078 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -64.22 -40.72 96.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.2 t -57.62 -32.33 67.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.78 -38.8 2.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -79.42 136.12 36.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.479 ' CE2' HD13 ' A' ' 25' ' ' LEU . 36.9 m95 -72.56 143.7 48.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.466 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 39.9 m-70 -119.8 127.74 53.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.423 ' HG3' ' CE2' ' A' ' 23' ' ' PHE . 5.3 ttt -64.48 146.61 54.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 51.6 m-85 -66.04 156.19 34.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.481 ' HB2' ' CB ' ' A' ' 41' ' ' GLN . 22.3 mm-40 -137.48 153.11 74.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.534 0.683 . . . . 0.0 110.938 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' A' ' 38' ' ' THR . 53.5 Cg_endo -69.78 160.9 47.97 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.683 2.256 . . . . 0.0 112.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.4 ' O ' ' OD2' ' A' ' 37' ' ' ASP . 5.1 p-10 -46.17 89.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.583 ' O ' ' N ' ' A' ' 42' ' ' CYS . 5.5 t -144.65 158.11 43.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.18 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -50.03 -40.17 43.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.437 ' HB3' HG23 ' A' ' 38' ' ' THR . 22.4 t -50.61 -75.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.481 ' CB ' ' HB2' ' A' ' 35' ' ' GLN . 5.3 tp-100 -95.4 -40.66 9.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.605 ' O ' HG21 ' A' ' 65' ' ' THR . 43.1 t 64.02 54.96 1.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.5 t -154.43 178.2 10.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.587 HG23 HD11 ' A' ' 49' ' ' ILE . 20.3 m -71.53 145.54 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.072 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -80.06 160.96 25.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.0 p -45.43 -37.35 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -53.51 -70.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -42.41 -62.36 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.587 HD11 HG23 ' A' ' 44' ' ' VAL . 17.7 mt -47.48 -60.19 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -47.98 -48.24 32.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -52.15 -47.1 65.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.1 m -68.17 -35.06 77.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.418 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 44.2 t80 -63.72 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -61.67 -64.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.6 t -63.92 -36.62 84.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -123.75 76.79 56.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.73 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -28.84 24.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.643 2.229 . . . . 0.0 112.385 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.868 ' C ' ' HB2' ' A' ' 75' ' ' ALA . 28.2 p -116.88 34.41 5.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.93 -137.4 5.58 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.431 ' CB ' ' HA ' ' A' ' 73' ' ' ASP . 23.8 p -161.65 147.14 13.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 110.871 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.514 ' O ' HG23 ' A' ' 61' ' ' ILE . 11.1 tt -115.08 107.91 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.5 p -89.34 121.4 31.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 7.1 p90 -144.12 134.66 24.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.2 p -113.39 116.68 30.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.605 HG21 ' O ' ' A' ' 42' ' ' CYS . 64.6 p -88.33 139.7 30.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.7 t -40.11 -25.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 65' ' ' THR . 32.8 ttmt -84.35 -58.21 2.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.433 ' CD2' ' HG2' ' A' ' 67' ' ' LYS . 30.7 m-85 -149.36 176.32 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.9 m -102.95 150.51 23.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.584 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 81.8 m-85 -154.5 142.81 20.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -134.25 100.21 4.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.6 mt -85.32 108.52 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.431 ' HA ' ' CB ' ' A' ' 60' ' ' SER . 2.7 m-20 -92.01 97.14 10.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.418 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 23.8 m-85 -53.92 -48.07 70.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.868 ' HB2' ' C ' ' A' ' 58' ' ' CYS . . . -49.78 -41.32 44.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -83.46 -16.28 46.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.428 ' C ' HG12 ' A' ' 90' ' ' ILE . 5.1 mmt 62.48 44.71 6.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.8 162.93 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.472 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 15.3 tt0 -95.02 132.07 40.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.0 tpp -93.98 94.16 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.477 ' CG ' ' HG1' ' A' ' 84' ' ' THR . 5.9 t-20 -74.67 113.28 11.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 mt -99.22 -39.83 8.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.656 HG23 HG23 ' A' ' 84' ' ' THR . 3.9 t -57.71 -39.32 76.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.656 HG23 HG23 ' A' ' 83' ' ' THR . 53.0 p -108.26 -25.94 10.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.99 17.18 67.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.421 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -94.37 175.3 6.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.721 0.296 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -130.06 149.04 51.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.472 ' CG ' ' HB3' ' A' ' 79' ' ' GLN . 19.3 ptp180 -153.74 145.5 23.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -83.78 155.79 22.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.796 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 39.7 pt -126.4 174.7 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -164.49 148.92 9.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.53 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 18.1 ttp85 -117.52 101.64 8.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.575 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -130.12 159.93 67.87 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.722 . . . . 0.0 111.068 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 54.1 Cg_endo -69.76 154.59 67.57 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.647 2.232 . . . . 0.0 112.359 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -48.27 106.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.7 m -86.85 81.64 8.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.4 p -173.59 117.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 47.06 -157.47 0.56 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 152.2 69.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.241 . . . . 0.0 112.366 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.5 p -126.33 83.9 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.6 m -163.89 129.17 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.7 p -120.46 88.36 2.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 110.856 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 t -90.23 129.74 36.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.13 112.03 4.13 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -80.07 -60.25 2.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 110.865 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 t -69.59 114.19 7.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.39 162.29 0.28 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -147.47 134.0 19.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.939 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -87.25 117.36 25.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.8 p -110.61 138.1 40.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -142.08 159.61 41.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -157.18 136.49 12.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.9 mmt -41.12 -38.91 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -99.73 167.24 10.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.0 p -130.27 171.13 13.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 17' ' ' ASP . 68.9 m -150.96 170.29 19.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' SER . 14.5 m-20 -34.33 110.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.3 m -96.96 111.39 23.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.565 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 15.6 mm-40 -75.92 145.05 40.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.645 ' C ' ' CE1' ' A' ' 95' ' ' PHE . 94.0 m95 -107.98 124.03 49.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.653 ' CA ' ' CZ ' ' A' ' 95' ' ' PHE . . . -113.85 152.13 18.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.517 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.765 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 14.9 m95 -105.32 133.86 49.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.814 0.34 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.45 ' CD2' ' HA ' ' A' ' 33' ' ' MET . 27.8 m-85 -134.7 136.13 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -115.75 141.42 48.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.533 HD11 ' HA2' ' A' ' 29' ' ' GLY . 32.5 tp -66.89 158.69 30.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.476 ' N ' ' HG ' ' A' ' 25' ' ' LEU . . . -120.03 -177.18 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.65 -36.47 73.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 t -84.27 26.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.533 ' HA2' HD11 ' A' ' 25' ' ' LEU . . . 56.53 38.82 82.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -126.88 127.09 44.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CE3' ' HG2' ' A' ' 91' ' ' LYS . 60.2 m95 -83.68 123.84 30.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -104.65 149.49 25.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.45 ' HA ' ' CD2' ' A' ' 23' ' ' PHE . 18.7 ttt -75.63 127.53 33.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.493 ' HD2' HD13 ' A' ' 49' ' ' ILE . 4.5 m-85 -47.06 133.24 11.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 34' ' ' PHE . 62.3 mm-40 -158.04 151.68 19.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.556 0.693 . . . . 0.0 110.939 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.427 ' CB ' ' HB2' ' A' ' 42' ' ' CYS . 54.1 Cg_endo -69.76 121.55 8.24 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.643 2.228 . . . . 0.0 112.391 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 36' ' ' PRO . 3.5 m-20 -35.68 -50.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.7 p -141.21 122.7 15.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -51.67 -49.51 62.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.6 p -50.68 -61.08 2.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -121.99 79.08 1.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.427 ' HB2' ' CB ' ' A' ' 36' ' ' PRO . 31.3 p -95.28 167.16 11.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.6 t -115.29 -62.33 1.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.8 m -131.71 157.48 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.598 ' O ' HD12 ' A' ' 49' ' ' ILE . 62.6 m -138.18 163.04 32.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 45' ' ' SER . 53.6 p -33.32 -35.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 45' ' ' SER . 14.1 tt0 -71.7 -59.49 2.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -38.96 -49.84 1.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.609 ' H ' HD12 ' A' ' 49' ' ' ILE . 5.3 mp -62.52 -64.83 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' ILE . 38.7 tt0 -37.52 -45.77 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -61.55 -44.38 97.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 49' ' ' ILE . 66.1 m -67.6 -34.4 76.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.487 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 78.6 t80 -71.58 -37.3 71.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -61.76 -59.4 5.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.1 t -61.11 -39.01 88.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -133.08 96.14 17.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.641 0.734 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -19.54 36.1 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 81.7 m -124.1 40.71 3.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.64 165.31 16.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.8 p -111.57 150.98 29.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.349 . . . . 0.0 110.905 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.538 ' O ' HG23 ' A' ' 61' ' ' ILE . 12.0 tt -119.8 103.74 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.2 p -85.02 119.71 25.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 7.3 p90 -145.15 136.7 25.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.1 p -110.53 117.68 34.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.16 -174.56 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 m -64.66 99.82 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.611 ' O ' ' CD1' ' A' ' 68' ' ' PHE . 14.5 tptm 67.34 31.49 6.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.611 ' CD1' ' O ' ' A' ' 67' ' ' LYS . 25.1 m-85 -157.84 157.22 32.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.17 148.75 49.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.582 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 84.5 m-85 -154.51 139.0 16.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 80' ' ' MET . 4.2 ttmt -126.67 126.88 44.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.551 HD11 ' NE2' ' A' ' 79' ' ' GLN . 78.8 mt -117.85 113.08 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.19 118.87 37.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.487 ' CE1' ' HB2' ' A' ' 53' ' ' PHE . 29.4 m-85 -68.92 -53.2 22.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.59 -37.29 39.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -83.49 -15.94 47.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.8 mmt 55.56 45.01 25.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -159.44 149.85 19.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.551 ' NE2' HD11 ' A' ' 72' ' ' ILE . 33.6 tt0 -95.68 109.9 22.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 71' ' ' LYS . 35.0 tpp -85.95 112.2 20.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.609 ' C ' HD22 ' A' ' 82' ' ' LEU . 23.6 t-20 -83.45 144.93 29.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.699 HD22 ' N ' ' A' ' 82' ' ' LEU . 1.5 mm? -115.37 -41.56 3.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.8 t -47.63 -46.98 29.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.6 p -115.69 -25.08 7.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 89.89 26.95 22.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.446 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.0 mmtm -84.91 173.75 10.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.687 0.279 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -137.51 141.79 41.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -155.95 130.53 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.6 mt -63.71 161.53 14.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.765 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 45.6 pt -136.35 149.72 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.568 ' HG2' ' CE3' ' A' ' 31' ' ' TRP . 13.2 pttp -143.65 155.35 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 66.6 ttp85 -120.99 103.1 8.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -125.03 152.61 70.71 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.567 0.699 . . . . 0.0 111.077 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 141.94 46.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.374 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.653 ' CZ ' ' CA ' ' A' ' 21' ' ' GLY . 6.9 m-85 -63.81 162.4 13.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.7 m -110.98 89.5 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.8 t -50.34 98.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -61.18 150.18 44.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 112.27 3.03 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.301 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.9 t -72.63 126.46 29.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 m 62.64 43.29 7.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.0 p -143.94 132.91 22.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.369 . . . . 0.0 110.87 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -131.19 167.7 18.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.19 113.75 3.87 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 p -146.25 137.0 24.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 m -122.01 116.72 24.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.64 113.93 0.95 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -78.78 164.95 24.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -107.32 122.17 46.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.6 t -127.42 98.11 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.9 168.17 12.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -153.66 169.86 22.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.8 tpp -39.33 152.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -86.28 130.25 34.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.3 p -129.26 154.2 47.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.4 m -84.52 -55.52 4.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -78.46 114.26 17.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.1 m -154.68 131.97 11.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.199 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -79.4 126.38 30.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -101.32 116.92 33.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 95' ' ' PHE . . . -98.11 151.57 19.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.52 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.833 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 9.9 m95 -107.77 140.11 41.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.769 0.319 . . . . 0.0 110.932 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.402 ' HB2' ' CG ' ' A' ' 91' ' ' LYS . 31.2 m-85 -141.45 150.74 42.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.598 ' CE1' ' NH1' ' A' ' 88' ' ' ARG . 28.0 p90 -137.89 147.58 44.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 31' ' ' TRP . 9.5 tp -75.99 116.33 16.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.71 163.97 19.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -59.38 -39.67 84.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 91.2 m -58.6 -30.74 67.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.95 -39.08 2.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.418 ' HD3' ' N ' ' A' ' 31' ' ' TRP . 3.4 tmtt? -79.78 128.41 33.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.505 ' CE2' ' HB2' ' A' ' 25' ' ' LEU . 24.3 m95 -67.36 132.9 48.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -100.68 129.77 46.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.1 ttt -67.16 128.03 34.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.495 ' HE2' HD13 ' A' ' 72' ' ' ILE . 6.4 m-85 -48.86 121.35 4.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.49 ' NE2' ' HD2' ' A' ' 36' ' ' PRO . 12.1 mm100 -153.22 160.14 31.32 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.49 ' HD2' ' NE2' ' A' ' 35' ' ' GLN . 54.3 Cg_endo -69.79 132.79 24.03 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.68 2.254 . . . . 0.0 112.392 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -76.41 -71.97 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.731 HG22 ' H ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -90.09 -172.99 3.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.731 ' H ' HG22 ' A' ' 38' ' ' THR . 2.8 m120 -95.92 -56.34 2.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 42' ' ' CYS . 96.2 p -88.52 140.0 29.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 40' ' ' SER . 10.7 pm0 37.15 28.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' SER . 14.1 p -55.03 -179.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.9 p -68.42 -173.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.845 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.703 HG23 HD11 ' A' ' 49' ' ' ILE . 35.7 m -81.57 152.08 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.146 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.641 ' O ' HD12 ' A' ' 49' ' ' ILE . 8.1 m -111.45 157.58 20.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.793 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 45' ' ' SER . 65.9 p -34.77 -36.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.848 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 45' ' ' SER . 2.8 tp10 -68.71 -62.66 1.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -39.2 -48.21 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.703 HD11 HG23 ' A' ' 44' ' ' VAL . 5.2 mp -62.18 -69.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.456 ' OE2' ' CG ' ' A' ' 54' ' ' LYS . 14.8 tm-20 -38.41 -33.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -68.91 -47.46 65.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' ILE . 22.8 t -68.3 -40.77 81.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 5.0 t80 -71.51 -30.17 65.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.456 ' CG ' ' OE2' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -53.44 -51.89 61.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.9 t -81.2 -30.78 34.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -133.01 87.48 39.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.615 0.722 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.436 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . 53.4 Cg_endo -69.71 -13.99 35.59 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.688 2.259 . . . . 0.0 112.354 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.541 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 96.3 m -122.08 33.33 5.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -105.72 -132.87 7.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.5 p -173.85 172.92 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.828 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.567 HD11 HG11 ' A' ' 44' ' ' VAL . 13.6 tt -152.63 106.84 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.2 t -93.87 135.38 35.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.414 ' CZ ' HG22 ' A' ' 44' ' ' VAL . 54.9 p90 -160.56 175.38 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 66.1 p -143.8 164.08 31.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.8 p -110.09 -69.94 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.2 p -127.68 -68.1 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -123.93 -18.39 5.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.527 ' CD2' ' OG1' ' A' ' 83' ' ' THR . 3.3 m-85 -99.73 153.66 18.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.436 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 18.2 m -115.71 161.82 18.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.835 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.436 ' CD1' ' O ' ' A' ' 69' ' ' SER . 52.2 m-85 -154.02 133.67 12.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.942 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -127.64 110.43 12.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.495 HD13 ' HE2' ' A' ' 34' ' ' PHE . 86.1 mt -88.82 99.23 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.76 117.57 23.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.654 ' CZ ' HG23 ' A' ' 49' ' ' ILE . 23.6 m-85 -78.8 -45.7 20.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 58' ' ' CYS . . . -50.1 -33.17 17.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -97.33 -6.35 34.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.414 ' C ' HG12 ' A' ' 90' ' ' ILE . 76.5 mmm 54.82 49.24 18.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.29 161.63 27.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.91 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.476 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 19.9 tm0? -95.52 109.24 21.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -78.9 113.45 17.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.648 ' C ' HD22 ' A' ' 82' ' ' LEU . 10.8 t-20 -84.87 146.25 27.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.742 HD22 ' N ' ' A' ' 82' ' ' LEU . 1.0 OUTLIER -115.56 -26.23 7.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.767 HG23 HG22 ' A' ' 84' ' ' THR . 7.4 t -68.43 -42.82 78.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.767 HG22 HG23 ' A' ' 83' ' ' THR . 0.6 OUTLIER -124.79 -21.77 4.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 85.06 13.51 71.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.424 ' H ' HG23 ' A' ' 84' ' ' THR . 5.5 mmmm -75.4 127.89 34.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.706 0.289 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -89.44 147.6 23.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.598 ' NH1' ' CE1' ' A' ' 24' ' ' TYR . 4.3 ptp180 -148.31 130.04 15.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 45.2 mt -66.64 147.17 53.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.833 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 28.8 pt -123.62 170.47 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.402 ' CG ' ' HB2' ' A' ' 23' ' ' PHE . 4.8 ptmm? -153.26 155.55 36.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.531 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 37.0 ttp85 -131.19 97.12 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -128.37 151.84 77.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.6 0.714 . . . . 0.0 111.078 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 161.63 45.16 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.41 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.567 ' CE1' ' HA3' ' A' ' 21' ' ' GLY . 23.1 m-85 -80.82 81.21 7.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.4 m -129.06 120.96 26.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.8 p -133.57 91.43 2.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 146.67 122.23 1.38 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 100.74 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.73 2.286 . . . . 0.0 112.31 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 62.8 m 56.11 42.56 28.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.8 m -109.08 -45.04 3.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 -179.937 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -119.77 42.22 2.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.831 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 t -105.57 144.8 31.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.09 178.18 33.85 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.517 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 t -66.25 94.7 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.885 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.0 p -168.37 176.42 5.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.75 136.03 12.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -157.48 117.05 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.774 0.321 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -79.77 121.34 25.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.9 m -89.69 171.82 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -76.88 155.84 32.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 13' ' ' MET . 4.0 p30 -162.0 137.49 7.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.44 ' C ' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER 34.46 41.25 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -142.55 147.87 36.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.1 p -42.49 112.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.3 t -167.8 131.99 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -69.38 94.61 0.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.4 m -87.32 107.54 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -76.04 119.26 19.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -90.22 127.78 36.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -115.83 163.68 12.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.541 ' CD1' ' HB2' ' A' ' 50' ' ' GLU . 11.0 m95 -112.62 158.47 19.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.583 ' CE2' ' HG3' ' A' ' 33' ' ' MET . 32.9 m-85 -148.58 163.18 38.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -144.22 133.92 23.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.718 HD13 ' CE2' ' A' ' 31' ' ' TRP . 19.6 tp -59.77 160.07 7.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.63 -179.02 4.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -69.84 -29.66 66.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 67.2 m -90.69 26.24 2.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.11 37.71 64.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -126.14 127.12 45.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.718 ' CE2' HD13 ' A' ' 25' ' ' LEU . 62.0 m95 -84.39 109.17 17.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -87.39 161.31 17.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.583 ' HG3' ' CE2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -88.79 141.13 28.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.4 ' CD2' ' HB3' ' A' ' 22' ' ' TRP . 9.3 m-85 -67.61 142.06 56.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.476 ' CG ' ' HB2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -133.56 158.85 74.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.587 0.708 . . . . 0.0 110.909 -179.899 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 37' ' ' ASP . 53.7 Cg_endo -69.75 161.49 45.72 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.643 2.228 . . . . 0.0 112.35 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' PRO . 4.4 p30 -37.62 102.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.536 ' O ' ' N ' ' A' ' 42' ' ' CYS . 9.9 m -149.22 149.45 30.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -48.47 -55.9 9.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.5 p -39.23 -74.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.476 ' HB2' ' CG ' ' A' ' 35' ' ' GLN . 63.4 mt-30 -119.65 56.02 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 38' ' ' THR . 16.8 p -33.75 99.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 35' ' ' GLN . 85.2 p -175.19 167.73 3.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.831 HG23 HD11 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -71.45 156.5 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.571 ' O ' HD12 ' A' ' 49' ' ' ILE . 42.6 m -82.93 155.76 23.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.0 p -39.27 -51.44 2.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -43.82 -52.37 6.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.17 -70.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.831 HD11 HG23 ' A' ' 44' ' ' VAL . 5.3 mp -39.76 -46.45 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.541 ' HB2' ' CD1' ' A' ' 22' ' ' TRP . 37.1 tt0 -63.33 -50.85 68.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -52.75 -29.7 28.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.429 ' CB ' HD12 ' A' ' 61' ' ' ILE . 41.6 t -83.82 -30.8 26.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -71.91 -38.81 69.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -50.79 -55.13 18.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.0 t -72.64 -39.78 66.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.153 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -116.36 78.8 8.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.652 0.739 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -29.25 23.93 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.647 2.231 . . . . 0.0 112.37 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.631 ' C ' ' HB2' ' A' ' 75' ' ' ALA . 84.2 m -119.87 38.5 3.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.22 -132.79 3.95 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.513 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.6 p -168.72 145.44 3.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 61' ' ' ILE . 14.4 tt -108.08 118.7 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.6 t -99.47 130.97 45.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 6.5 p90 -154.34 141.86 19.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.8 p -118.4 116.83 27.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' PHE . 77.3 p -90.17 -178.11 5.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.42 ' O ' ' CD2' ' A' ' 68' ' ' PHE . 31.7 t -50.11 119.71 3.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 68' ' ' PHE . 7.5 ptpp? 38.04 38.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' THR . 46.0 m-85 -158.97 141.33 13.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.9 m -125.95 149.91 48.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.586 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 98.6 m-85 -152.08 167.61 27.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -155.0 105.01 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.521 HG23 HD13 ' A' ' 90' ' ' ILE . 36.2 mt -89.42 108.16 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.96 118.25 26.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -80.35 -44.98 18.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.631 ' HB2' ' C ' ' A' ' 58' ' ' CYS . . . -55.77 -39.28 71.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -86.79 -13.37 45.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.7 mmt 60.23 46.97 9.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -158.9 153.82 24.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.487 ' OE1' ' N ' ' A' ' 80' ' ' MET . 2.7 tp60 -95.23 132.55 40.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.487 ' N ' ' OE1' ' A' ' 79' ' ' GLN . 25.1 tpp -97.91 111.34 23.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -86.91 101.47 13.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.8 mt -86.61 -40.07 15.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.0 t -41.58 -43.0 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 69.6 p -116.8 -25.35 7.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.77 33.7 6.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -102.67 173.6 6.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.737 0.303 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -119.44 123.67 44.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 79' ' ' GLN . 35.6 mmt-85 -125.8 158.3 35.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 mp -101.72 167.84 9.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.521 HD13 HG23 ' A' ' 72' ' ' ILE . 20.7 pt -145.04 170.15 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -170.3 151.68 3.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.515 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 34.6 ttp85 -108.88 120.46 42.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -151.8 152.07 29.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 111.081 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 144.52 54.58 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -56.52 155.51 7.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.6 m -121.9 44.72 2.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.4 t -89.0 43.55 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 60.39 -157.92 27.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 177.37 5.63 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.2 p -104.67 122.47 45.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.0 t -160.58 142.56 12.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -170.71 162.14 7.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 m -120.09 88.95 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.9 137.94 41.68 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -166.23 139.48 4.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.926 0.393 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.6 m -81.86 86.55 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.21 -121.57 3.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -57.47 175.62 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 110.942 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -78.46 107.6 11.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.737 ' O ' HG23 ' A' ' 10' ' ' VAL . 33.4 m -86.81 83.31 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.153 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -92.94 128.87 38.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -100.63 105.63 17.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.9 mmt -132.85 120.48 21.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -172.62 177.16 3.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.47 HG23 ' N ' ' A' ' 16' ' ' SER . 10.1 t -130.23 -44.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.47 ' N ' HG23 ' A' ' 15' ' ' THR . 72.2 m -93.59 165.49 12.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 45.8 41.04 7.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.3 m -84.84 107.42 16.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -83.26 126.17 32.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -90.12 108.37 19.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.34 159.37 21.85 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.657 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 12.3 m95 -111.78 141.68 45.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.733 0.302 . . . . 0.0 110.982 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 9.6 m-85 -130.04 168.5 16.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.452 ' HB3' ' CE1' ' A' ' 34' ' ' PHE . 30.3 p90 -155.52 126.72 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.952 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.703 HD12 ' NE1' ' A' ' 31' ' ' TRP . 9.6 tt -72.72 134.11 44.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.78 179.11 4.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -64.82 -19.87 66.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.5 p -87.96 25.26 1.59 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.82 34.69 5.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -131.34 118.19 19.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.332 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.703 ' NE1' HD12 ' A' ' 25' ' ' LEU . 44.5 m95 -74.88 106.75 6.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -91.61 115.86 28.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.551 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 6.8 ttt -58.84 115.98 3.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 24' ' ' TYR . 30.0 m-85 -34.84 144.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -171.09 155.8 4.5 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.565 0.698 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 110.42 2.55 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.685 2.257 . . . . 0.0 112.361 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' THR . 1.4 m-20 -73.86 177.27 5.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' ASP . 74.0 p -38.02 157.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -50.54 -42.8 55.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.0 t -65.89 -39.96 91.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -103.37 33.88 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 t -98.33 96.21 7.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.1 p -111.03 -67.46 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.816 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.1 m -131.79 155.11 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.584 ' O ' HD12 ' A' ' 49' ' ' ILE . 18.7 m -123.69 159.03 30.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.838 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' SER . 89.1 p -34.48 -34.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 45' ' ' SER . 21.1 tp10 -64.24 -62.47 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -41.98 -56.37 2.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.7 ' H ' HD12 ' A' ' 49' ' ' ILE . 5.3 mp -49.93 -40.05 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -71.01 -58.07 3.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.11 -29.71 32.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.8 m -73.65 -50.09 22.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 53' ' ' PHE . 2.1 t80 -62.47 -24.34 67.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -54.05 -56.17 20.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.9 t -72.64 -38.36 67.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -126.77 88.49 54.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.718 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.413 ' HB3' ' CE1' ' A' ' 53' ' ' PHE . 54.3 Cg_endo -69.78 -13.64 34.92 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.647 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 30.2 p -130.1 31.4 4.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -108.27 -143.63 10.66 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.534 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.4 p -153.31 166.05 33.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' A' ' 72' ' ' ILE . 8.6 tt -139.69 113.29 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.15 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.2 p -99.55 132.27 45.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -152.78 174.36 14.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 75.7 p -146.32 136.26 23.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.175 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.46 -75.37 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.9 t -122.72 -66.82 0.99 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.4 tptt -126.13 -9.63 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.515 ' CD2' ' OG1' ' A' ' 83' ' ' THR . 3.1 m-85 -103.74 158.76 16.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.6 m -119.48 157.11 28.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.485 ' HA ' HD23 ' A' ' 82' ' ' LEU . 55.1 m-85 -150.73 135.63 17.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.53 ' CB ' HD21 ' A' ' 82' ' ' LEU . 19.9 tttp -119.47 135.9 54.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.475 ' HB ' ' CG2' ' A' ' 61' ' ' ILE . 96.5 mt -123.02 96.93 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.55 116.68 23.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -73.36 -43.48 60.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.647 ' HB2' ' O ' ' A' ' 58' ' ' CYS . . . -48.84 -42.63 36.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -87.15 -5.53 58.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 mmt 54.32 45.17 27.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -160.02 158.97 31.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.479 ' HB3' ' CG ' ' A' ' 88' ' ' ARG . 34.9 tt0 -98.04 123.73 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' LYS . 57.4 ttm -96.49 118.45 33.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.6 ' C ' HD22 ' A' ' 82' ' ' LEU . 2.4 m120 -80.31 144.78 32.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.653 HD22 ' N ' ' A' ' 82' ' ' LEU . 1.6 mm? -112.99 -31.21 6.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.654 HG23 HG23 ' A' ' 84' ' ' THR . 7.0 t -68.08 -53.2 27.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.654 HG23 HG23 ' A' ' 83' ' ' THR . 34.0 p -107.8 -24.75 11.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.08 30.36 31.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.533 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.43 ' N ' ' HB2' ' A' ' 81' ' ' ASN . 14.0 mmmt -76.71 174.14 10.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.324 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -135.4 120.9 19.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.479 ' CG ' ' HB3' ' A' ' 79' ' ' GLN . 5.9 ptp180 -125.41 -178.57 4.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.6 mt -120.43 155.46 33.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.657 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 29.8 pt -131.34 160.69 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.416 ' HG2' ' CE3' ' A' ' 31' ' ' TRP . 15.7 pttm -151.82 144.63 24.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.51 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 5.7 ttp-105 -112.26 116.01 29.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.671 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -151.72 162.98 25.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.533 0.682 . . . . 0.0 111.079 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.671 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 53.6 Cg_endo -69.76 153.67 68.65 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -44.67 169.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 45.5 p -110.16 42.14 1.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.2 p 38.63 42.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -40.3 158.2 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 115.76 4.24 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.655 2.237 . . . . 0.0 112.354 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.3 t -98.31 -46.94 5.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.824 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.0 m -78.85 111.44 15.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.481 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -102.59 168.59 9.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 t -90.74 -61.86 1.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.63 95.37 0.17 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 m -78.41 112.99 16.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.909 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.4 p -157.38 123.98 4.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.48 -61.62 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -86.51 94.05 9.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -119.58 101.94 8.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.4 m -139.61 129.71 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -96.72 -176.64 3.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.91 70.45 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.1 mmt -135.64 154.1 51.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -91.76 55.05 2.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.1 p -85.46 -45.23 12.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -103.47 37.89 1.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.9 t0 59.05 46.85 12.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.8 m -45.66 104.68 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.558 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 26.0 mm-40 -75.03 146.31 41.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -108.75 105.97 15.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.47 140.15 14.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.479 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.558 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 8.1 m95 -91.9 146.82 23.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.74 0.305 . . . . 0.0 110.95 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -136.23 167.47 21.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -144.47 138.92 27.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.9 tp -69.59 133.55 47.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.954 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.2 -176.15 4.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.86 -55.12 25.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 72.9 m -56.41 -33.35 65.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.48 42.11 0.65 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.451 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -129.07 142.69 50.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.786 0.326 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.438 ' CE3' ' HG2' ' A' ' 91' ' ' LYS . 65.4 m95 -85.76 118.21 25.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -101.4 161.84 13.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.1 ttt -91.6 118.36 30.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -45.52 127.81 7.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -152.03 157.55 34.13 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.568 0.699 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.406 ' CB ' ' HB2' ' A' ' 42' ' ' CYS . 53.9 Cg_endo -69.81 123.73 10.37 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.31 -71.27 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.585 HG21 ' OG ' ' A' ' 66' ' ' SER . 11.5 t -102.01 -175.74 2.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -90.23 -56.17 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.5 t -55.29 -75.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.467 ' O ' ' C ' ' A' ' 42' ' ' CYS . 6.8 mm100 -90.67 34.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.467 ' C ' ' O ' ' A' ' 41' ' ' GLN . 28.9 p -33.19 135.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.471 ' HA ' ' CG2' ' A' ' 65' ' ' THR . 4.7 p -63.52 -174.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.539 ' CG2' ' HB3' ' A' ' 48' ' ' ASP . 6.4 p -84.87 139.47 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 47' ' ' GLU . 1.2 m -98.8 143.83 28.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.505 ' HA ' HD13 ' A' ' 49' ' ' ILE . 13.7 p -31.98 -35.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 45' ' ' SER . 24.0 tt0 -46.75 -59.33 3.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.539 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 2.4 t0 -58.61 -69.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.539 ' H ' HD12 ' A' ' 49' ' ' ILE . 4.2 mp -33.12 -36.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 48' ' ' ASP . 5.6 tp10 -73.96 -64.21 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.487 ' CG ' ' N ' ' A' ' 52' ' ' SER . 8.9 ptpt -48.84 -47.49 42.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.487 ' N ' ' CG ' ' A' ' 51' ' ' LYS . 8.5 t -58.24 -49.11 78.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.439 ' HA ' ' CD2' ' A' ' 74' ' ' PHE . 23.4 t80 -58.26 -43.75 88.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -50.56 -62.71 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 t -66.32 -36.07 81.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.203 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -124.64 79.94 62.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.733 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -21.36 33.69 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.734 2.289 . . . . 0.0 112.337 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.1 p -122.26 33.63 5.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -111.41 -138.71 7.68 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.8 p -168.68 131.23 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.358 . . . . 0.0 110.855 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.651 ' O ' HG23 ' A' ' 61' ' ' ILE . 17.8 tt -101.99 105.49 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.6 p -95.57 125.83 40.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.587 ' CE2' ' HB2' ' A' ' 70' ' ' TYR . 50.0 p90 -139.33 178.95 6.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.0 p -143.54 163.09 34.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.471 ' CG2' ' HA ' ' A' ' 43' ' ' SER . 4.3 p -143.31 -175.26 4.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.585 ' OG ' HG21 ' A' ' 38' ' ' THR . 5.6 m -35.98 102.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.598 ' HE3' ' CE1' ' A' ' 68' ' ' PHE . 8.1 pttt 37.99 46.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.598 ' CE1' ' HE3' ' A' ' 67' ' ' LYS . 21.4 m-85 -152.5 161.05 43.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.406 ' CB ' ' HB2' ' A' ' 82' ' ' LEU . 10.3 t -129.06 150.4 50.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.587 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 82.3 m-85 -154.28 133.4 12.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' MET . 22.7 tttt -127.11 131.18 50.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 81.9 mt -120.95 98.53 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -86.01 109.27 18.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.439 ' CD2' ' HA ' ' A' ' 53' ' ' PHE . 24.0 m-85 -60.77 -45.07 95.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.15 -47.22 45.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -83.32 -2.6 56.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.426 ' HA ' HD11 ' A' ' 90' ' ' ILE . 4.1 mmt 45.61 53.01 8.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -159.71 156.7 28.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -96.08 108.74 21.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 71' ' ' LYS . 36.6 tpp -86.16 111.47 20.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.72 ' C ' HD22 ' A' ' 82' ' ' LEU . 19.8 t-20 -82.86 146.31 28.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.724 HD22 ' N ' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -115.83 -46.06 2.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.456 HG23 HG23 ' A' ' 84' ' ' THR . 2.9 t -48.74 -46.94 41.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.456 HG23 HG23 ' A' ' 83' ' ' THR . 45.5 p -112.84 -24.01 9.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.52 21.83 59.46 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.464 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -76.82 172.57 12.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.741 0.305 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -120.48 138.32 53.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -144.47 162.55 36.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.4 ' N ' HD22 ' A' ' 89' ' ' LEU . 3.9 mm? -107.22 164.81 11.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.558 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 34.0 pt -138.93 172.03 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.438 ' HG2' ' CE3' ' A' ' 31' ' ' TRP . 36.6 pttt -171.82 154.27 3.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.517 ' HD3' ' CE2' ' A' ' 22' ' ' TRP . 31.8 ttp85 -119.06 129.75 55.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -153.0 158.11 32.94 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.609 0.719 . . . . 0.0 111.118 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.505 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 54.0 Cg_endo -69.79 143.07 49.53 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.626 ' CD1' ' C ' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -125.09 129.43 50.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.2 m -148.98 168.78 22.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.2 t -108.35 -46.86 3.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 171.15 146.17 5.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.529 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -9.04 25.13 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.376 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.1 m -119.47 167.12 12.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t 70.68 40.6 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.3 p -54.45 -45.16 73.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.388 . . . . 0.0 110.827 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.2 p 41.36 42.17 1.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.02 -122.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t 60.45 42.44 14.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.373 . . . . 0.0 110.849 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 p -160.66 155.51 24.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.28 -118.12 6.08 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.546 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' GLU . 24.7 m120 -159.8 170.02 22.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' ASN . 2.8 pm0 -35.68 138.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.4 m -95.58 -27.47 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -53.99 138.97 35.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -108.12 161.7 14.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.423 ' HG3' ' N ' ' A' ' 14' ' ' ASP . 6.4 ptp -79.32 -36.85 38.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 13' ' ' MET . 10.6 t0 -116.48 109.94 17.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.3 p -136.18 153.01 51.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.3 t -116.52 -54.55 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.833 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.32 78.92 7.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.6 m -118.24 115.82 25.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -76.06 136.22 39.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -102.46 123.01 45.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.41 176.39 18.91 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.789 ' HZ3' HD12 ' A' ' 90' ' ' ILE . 14.2 m95 -121.05 141.88 50.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.787 0.327 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 33' ' ' MET . 58.6 m-85 -132.18 156.04 47.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.437 ' CD1' ' O ' ' A' ' 24' ' ' TYR . 37.5 p90 -137.3 129.27 29.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.5 tp -62.34 150.91 38.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -109.23 171.59 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -63.5 -44.19 95.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.2 m -62.35 -31.51 72.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.62 38.61 0.97 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -134.68 129.88 35.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 110.839 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -81.23 112.79 18.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -104.98 136.83 43.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.653 ' CE ' ' CE2' ' A' ' 95' ' ' PHE . 2.9 tpt -64.26 150.41 46.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.468 ' CZ ' HD13 ' A' ' 49' ' ' ILE . 24.1 m-85 -66.42 170.68 5.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.457 ' HB2' ' CB ' ' A' ' 41' ' ' GLN . 84.3 mm-40 -153.54 156.76 32.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.515 ' O ' ' N ' ' A' ' 38' ' ' THR . 54.1 Cg_endo -69.71 157.79 59.25 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.344 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 43' ' ' SER . 5.8 p-10 -52.01 84.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.515 ' N ' ' O ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -129.53 158.67 38.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -49.91 -53.09 28.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.8 m -56.07 -70.5 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.457 ' CB ' ' HB2' ' A' ' 35' ' ' GLN . 40.1 mt-30 -109.46 59.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' A' ' 38' ' ' THR . 15.7 p -50.8 94.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 37' ' ' ASP . 2.0 m -174.85 -179.75 1.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.803 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.628 HG13 ' CE2' ' A' ' 63' ' ' PHE . 33.9 m -83.57 147.85 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 m -80.11 153.99 28.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.9 p -42.35 -35.34 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -56.61 -63.29 1.25 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -43.89 -71.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.468 HD13 ' CZ ' ' A' ' 34' ' ' PHE . 14.7 mt -39.05 -56.91 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' LYS . 33.7 tt0 -48.79 -58.21 5.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLU . 11.1 ttpt -36.48 -38.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.436 ' OG ' HD12 ' A' ' 61' ' ' ILE . 49.2 m -78.06 -46.6 20.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 62.3 t80 -56.5 -40.63 75.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -51.39 -58.12 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.3 t -69.91 -38.77 76.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -130.85 91.94 35.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.669 0.747 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -10.76 29.32 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.715 2.276 . . . . 0.0 112.342 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.426 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 91.4 m -133.33 40.21 3.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.27 -158.56 11.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 25.5 p -144.45 149.17 35.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.368 . . . . 0.0 110.825 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.622 ' O ' HG23 ' A' ' 61' ' ' ILE . 16.9 tt -122.27 110.32 26.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.2 p -95.21 112.61 24.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.628 ' CE2' HG13 ' A' ' 44' ' ' VAL . 53.0 p90 -139.17 -179.72 6.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 71.1 p -139.5 167.26 22.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 30.7 p -132.89 -48.62 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 68' ' ' PHE . 80.9 p -158.13 107.92 2.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.587 ' HE2' ' CE1' ' A' ' 68' ' ' PHE . 4.2 pttm 38.19 27.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.587 ' CE1' ' HE2' ' A' ' 67' ' ' LYS . 17.6 m-85 -139.56 173.65 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 m -136.23 146.9 47.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.459 ' HA ' HD23 ' A' ' 82' ' ' LEU . 84.6 m-85 -140.95 136.75 32.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -124.34 125.17 43.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 91.8 mt -115.99 105.18 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.02 114.98 26.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.482 ' CD1' ' CH2' ' A' ' 22' ' ' TRP . 23.7 m-85 -69.41 -51.98 31.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . . . -46.58 -39.72 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -82.74 -19.06 38.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.436 ' C ' HG12 ' A' ' 90' ' ' ILE . 8.6 mmt 61.65 47.0 6.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.419 ' N ' HG12 ' A' ' 90' ' ' ILE . 7.5 ptpp? -162.42 152.98 17.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -95.08 117.76 30.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 59.5 ttm -94.18 109.69 21.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.637 ' C ' HD22 ' A' ' 82' ' ' LEU . 2.7 m-20 -79.43 145.11 33.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.666 HD22 ' N ' ' A' ' 82' ' ' LEU . 1.3 mm? -113.44 -36.97 4.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.622 HG23 HG23 ' A' ' 84' ' ' THR . 5.2 t -62.27 -46.36 89.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.622 HG23 HG23 ' A' ' 83' ' ' THR . 62.4 p -108.59 -25.92 10.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 85.0 28.83 30.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.538 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -91.22 175.39 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -144.01 146.57 32.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -157.21 121.97 4.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.3 mt -53.81 155.11 3.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.789 HD12 ' HZ3' ' A' ' 22' ' ' TRP . 26.1 pt -129.26 157.63 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.417 ' HB2' ' NZ ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -149.66 138.9 21.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.4 ttp85 -99.49 111.81 24.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.605 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -138.49 160.78 62.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.537 0.684 . . . . 0.0 111.128 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.605 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 53.3 Cg_endo -69.78 170.16 17.24 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.653 ' CE2' ' CE ' ' A' ' 33' ' ' MET . 74.7 m-85 -78.19 98.91 6.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.8 m -81.51 105.03 12.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.5 m -139.44 168.14 20.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.87 -159.4 21.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 99.53 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.72 2.28 . . . . 0.0 112.358 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.9 m -100.77 119.75 39.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.5 t -73.08 90.71 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.997 . . . . . . . . 0 0 . 1 stop_ save_