data_1x5g_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 1x5g _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 ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.609 0.719 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.454 ' CB ' ' HB1' ' A' ' 90' ' ' ALA . 53.9 Cg_endo -69.72 161.66 45.07 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.716 2.278 . . . . 0.0 112.331 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.91 176.68 27.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.507 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.463 ' HD3' ' CG2' ' A' ' 98' ' ' VAL . 53.4 Cg_endo -69.76 130.89 20.12 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.11 113.39 14.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.546 0.689 . . . . 0.0 111.108 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -177.37 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.4 m120 42.73 51.25 5.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.6 tp -89.8 102.79 15.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.1 mmm-85 -116.3 156.91 25.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.91 127.2 9.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.449 ' CZ ' HG23 ' A' ' 35' ' ' THR . 28.4 p90 -141.73 140.84 33.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.68 101.22 6.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.81 -21.36 62.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -156.94 160.8 30.47 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.666 0.746 . . . . 0.0 110.843 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -3.82 12.8 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.636 2.224 . . . . 0.0 112.356 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.6 p -130.9 1.55 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.79 169.05 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.9 mt -150.2 134.37 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.146 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.449 HG23 ' CZ ' ' A' ' 27' ' ' TYR . 45.9 m -104.98 130.56 53.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.6 t -123.61 127.7 74.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.2 p -123.25 131.41 53.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 44.5 p90 -138.96 167.77 21.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -117.43 165.34 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.455 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 90.1 m -85.56 138.79 35.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.613 0.72 . . . . 0.0 111.152 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.455 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 53.9 Cg_endo -69.75 132.13 22.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.92 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.5 mm . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.776 0.322 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -54.89 -57.95 9.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -149.94 151.22 33.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -96.66 121.95 39.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -92.47 116.05 28.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.5 tp -106.88 108.59 20.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.432 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 2.2 m-85 -86.06 154.86 21.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -159.52 133.13 7.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -155.76 161.55 40.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -91.0 134.14 34.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -55.46 100.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.59 37.1 1.34 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.448 ' O ' ' CG ' ' A' ' 61' ' ' ASP . 0.6 OUTLIER -126.41 -26.38 3.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.325 . . . . 0.0 111.14 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 60' ' ' THR . 1.2 p30 53.28 25.28 4.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -131.86 70.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -61.62 152.75 29.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -124.78 -174.84 3.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -152.83 135.81 15.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.3 m -128.45 137.46 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -71.7 124.43 24.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.4 t -143.78 136.99 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.2 p -125.45 39.07 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.7 p -143.08 169.88 16.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -95.88 24.27 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.1 p -169.59 120.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -135.44 145.34 47.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.4 m -115.43 125.41 53.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.134 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.7 mt -103.5 106.87 20.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.171 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -94.6 -179.98 5.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.27 51.98 19.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.8 mt -126.88 164.6 21.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.892 0.377 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -74.16 168.91 18.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.06 129.07 46.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.451 ' CD1' ' HB2' ' A' ' 109' ' ' SER . 22.9 t80 70.63 25.11 4.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.9 m -108.7 144.72 36.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.182 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -83.64 151.11 25.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -150.72 127.51 10.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 t -82.76 151.01 26.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -145.28 139.36 27.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.432 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 9.8 ptp180 -150.57 138.12 19.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 89' ' ' VAL . 98.8 t -102.51 142.93 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.439 ' N ' HG12 ' A' ' 88' ' ' VAL . 93.8 t -138.26 135.61 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.454 ' HB1' ' CB ' ' A' ' 18' ' ' PRO . . . -90.8 123.83 34.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.477 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 28.7 m-85 -114.1 112.86 23.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -125.26 171.61 10.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 94' ' ' HIS . 7.0 pttm -43.91 -43.03 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.456 ' N ' ' HG3' ' A' ' 93' ' ' LYS . 98.0 m-70 -60.53 -69.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 169.5 172.81 36.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.425 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.477 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.8 Cg_endo -69.76 105.42 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.372 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -75.15 -167.01 19.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.463 ' CG2' ' HD3' ' A' ' 20' ' ' PRO . 18.8 m -41.04 160.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.342 . . . . 0.0 111.187 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.8 t -121.72 133.97 54.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.85 160.45 15.31 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.586 0.708 . . . . 0.0 111.142 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 138.08 37.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.651 2.234 . . . . 0.0 112.385 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -49.42 138.91 12.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.3 t -122.01 87.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.98 135.96 35.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.5 p -148.38 138.28 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.6 ttm-85 -90.72 137.59 32.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.9 p -78.79 166.44 22.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 51.0 mt -68.43 146.68 52.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.451 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 15.2 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.469 HD11 ' N ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.591 0.71 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.461 ' CG ' ' HB1' ' A' ' 90' ' ' ALA . 53.7 Cg_endo -69.79 172.21 13.07 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.679 2.253 . . . . 0.0 112.316 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.79 175.22 24.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.432 ' HD3' ' CG2' ' A' ' 98' ' ' VAL . 54.1 Cg_endo -69.76 130.58 19.59 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.266 . . . . 0.0 112.338 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.59 115.28 8.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.517 0.675 . . . . 0.0 111.073 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -178.32 2.29 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 40.95 49.23 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 103' ' ' VAL . 26.8 tp -76.26 102.02 5.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.77 133.19 45.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.59 133.61 43.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -132.38 137.29 47.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.72 109.45 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.82 -27.93 63.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -150.99 161.64 29.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.683 0.754 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 0.53 5.5 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.319 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.0 p -129.69 -2.58 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.3 p -141.43 174.57 10.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.2 mt -151.33 132.17 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.3 m -104.82 98.59 8.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.7 t -88.11 137.67 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.1 p -126.38 156.44 40.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 48.2 p90 -163.06 158.13 21.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -109.14 165.07 11.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.6 m -85.94 133.5 41.15 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.592 0.711 . . . . 0.0 111.13 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 109.86 2.41 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.235 . . . . 0.0 112.387 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.8 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.157 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.0 mm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.805 0.336 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -80.69 -46.46 15.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -159.19 165.77 32.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -116.2 117.49 30.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -91.38 118.1 30.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.839 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.6 tp -108.09 122.81 47.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 1.9 m-85 -103.79 156.28 17.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -158.61 133.55 8.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -152.43 160.62 43.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.826 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -89.84 133.53 34.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -57.25 98.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 116.7 39.26 0.85 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.478 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.51 -29.21 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 111.14 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.0 t0 65.43 31.82 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -151.0 115.29 5.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -97.22 152.11 19.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.596 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 68.2 mt-30 -116.1 -179.49 3.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -150.06 138.04 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.0 m -133.8 148.8 30.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -84.66 123.55 30.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.4 t -130.09 129.68 65.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.8 m -97.02 -23.26 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -101.94 165.76 11.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -82.69 12.75 4.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.1 p -150.64 118.04 6.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -123.91 157.84 33.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.9 m -127.2 121.72 32.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 80.8 mt -99.33 122.39 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -108.39 158.21 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.47 51.05 2.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.0 mt -126.89 167.55 15.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -83.22 160.33 21.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -83.04 136.23 34.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.6 t80 58.69 43.36 18.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.431 HG21 ' CZ ' ' A' ' 84' ' ' TYR . 96.2 m -122.57 136.91 55.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -77.14 149.29 35.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.431 ' CZ ' HG21 ' A' ' 82' ' ' THR . 90.5 m-85 -148.76 127.45 12.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -83.0 138.67 33.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -135.64 138.16 42.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -146.31 131.65 18.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 25.6 t -96.67 142.12 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 84.8 t -133.24 131.3 58.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.461 ' HB1' ' CG ' ' A' ' 18' ' ' PRO . . . -87.45 131.79 34.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 19.6 m-85 -122.04 117.66 26.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.2 p-10 -134.88 167.4 20.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -39.58 -39.92 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -60.83 -67.43 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 166.23 172.85 34.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.558 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.3 Cg_endo -69.75 97.69 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.02 -169.33 2.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.432 ' CG2' ' HD3' ' A' ' 20' ' ' PRO . 10.9 m -47.11 175.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.4 t -127.38 135.86 51.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.55 157.94 12.56 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.569 0.699 . . . . 0.0 111.133 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 132.86 24.31 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.357 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -38.8 133.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.463 HG23 ' CD2' ' A' ' 24' ' ' LEU . 57.7 t -118.87 83.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -78.34 124.75 28.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.9 p -134.15 144.31 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.406 ' HB2' ' NH1' ' A' ' 106' ' ' ARG . 13.4 ttm105 -93.11 130.79 38.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.3 p -75.36 174.0 10.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 45.2 mt -78.6 150.97 32.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.831 -179.922 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HD3' ' ND2' ' A' ' 92' ' ' ASN . 53.8 Cg_endo -69.69 -172.61 0.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.72 2.28 . . . . 0.0 112.382 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -124.22 175.98 16.94 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.462 ' HD3' ' CG2' ' A' ' 98' ' ' VAL . 53.8 Cg_endo -69.8 121.88 8.56 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.09 118.5 15.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 0.0 111.058 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -175.16 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.695 2.264 . . . . 0.0 112.303 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.453 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 28.7 m120 39.4 49.98 1.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.4 tp -83.37 101.29 11.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.76 148.23 36.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.35 127.05 12.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.482 ' CZ ' HG23 ' A' ' 35' ' ' THR . 5.3 p90 -143.65 151.86 40.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.28 105.83 16.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.119 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.96 -9.11 58.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.077 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -169.9 161.13 6.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.673 0.749 . . . . 0.0 110.859 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -2.37 10.06 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.0 p -130.36 -4.05 4.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.1 p -135.62 170.59 15.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.1 mt -154.07 119.93 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.482 HG23 ' CZ ' ' A' ' 27' ' ' TYR . 52.5 m -90.44 135.89 33.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.8 t -130.75 121.49 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.3 p -119.23 137.59 53.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.483 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 49.7 p90 -141.6 172.14 13.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.453 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 65.3 mm-40 -119.01 165.01 14.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.4 m -85.88 131.61 46.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.566 0.698 . . . . 0.0 111.174 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 115.47 4.11 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.674 2.249 . . . . 0.0 112.379 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.3 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.116 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.0 mm . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.742 0.306 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -102.08 -46.08 4.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -155.01 154.02 31.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -107.03 121.16 43.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.1 tptt -90.8 110.54 21.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.7 tp -104.08 120.83 41.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.532 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 6.0 m-85 -100.41 157.13 16.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -162.06 134.48 5.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -156.61 162.35 39.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 58' ' ' LYS . 26.0 tt0 -91.65 100.63 13.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 57' ' ' GLU . 14.3 tptt -33.68 101.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 128.12 -0.09 6.52 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.72 -27.87 11.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.811 0.339 . . . . 0.0 111.194 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.13 25.08 15.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -121.04 71.61 0.95 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -61.87 145.67 52.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.532 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 45.5 mt-30 -126.44 179.47 5.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 p30 -147.62 139.78 24.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.4 m -133.94 131.07 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.49 121.45 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.441 HG11 ' N ' ' A' ' 69' ' ' SER . 72.2 t -119.47 155.37 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.441 ' N ' HG11 ' A' ' 68' ' ' VAL . 47.5 t -116.3 -35.81 4.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -89.3 165.35 14.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.483 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 20.0 m80 -69.32 -24.2 63.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.9 p -124.88 141.0 52.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -138.03 142.7 40.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.7 m -112.35 125.39 54.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 69.0 mt -99.53 134.33 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.65 158.42 24.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.09 56.83 1.99 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.0 mt -128.86 161.88 28.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.871 0.367 . . . . 0.0 110.918 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -73.8 174.5 8.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -104.88 137.77 42.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.561 ' CD1' ' HB2' ' A' ' 109' ' ' SER . 5.2 t80 59.38 44.3 15.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.7 m -130.4 142.63 50.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.129 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -75.53 151.87 37.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -148.45 126.26 11.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 t -86.38 146.29 26.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -143.36 137.41 28.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.41 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 25.9 ptt180 -148.72 133.3 17.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.405 ' C ' HG21 ' A' ' 89' ' ' VAL . 80.0 t -103.06 145.03 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.405 HG21 ' C ' ' A' ' 88' ' ' VAL . 41.3 t -136.88 137.12 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.31 132.84 33.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.53 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 16.4 m-85 -122.79 114.24 20.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 94' ' ' HIS . 43.8 p-10 -126.01 155.1 41.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 92' ' ' ASN . 24.2 pttt -35.33 -34.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 92' ' ' ASN . 13.3 m-70 -66.75 -56.61 9.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 158.14 166.04 16.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.53 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.4 Cg_endo -69.81 115.35 4.06 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.301 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -74.68 -140.35 0.66 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.462 ' CG2' ' HD3' ' A' ' 20' ' ' PRO . 18.0 m -69.68 -177.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 111.178 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.4 t -135.45 124.94 24.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.1 p -50.54 156.07 1.65 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.089 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 131.16 20.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.363 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -39.08 130.57 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.1 t -116.44 85.17 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.88 132.43 40.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.87 138.81 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -92.82 131.92 37.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.5 p -75.83 172.57 12.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.6 mt -77.57 146.01 36.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.561 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 4.3 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.647 0.737 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.458 ' HB3' ' CD1' ' A' ' 48' ' ' ILE . 53.8 Cg_endo -69.76 -176.27 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.71 177.94 16.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 128.71 16.46 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.387 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.34 110.22 2.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.733 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -178.39 2.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.5 m120 43.41 43.95 4.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.466 ' CD2' HG23 ' A' ' 103' ' ' VAL . 27.7 tp -77.12 105.67 8.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -133.78 130.25 37.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.89 140.77 52.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -143.39 137.07 28.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.01 105.9 11.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.088 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.28 -27.08 64.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 m -147.69 160.18 39.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.658 0.742 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -5.05 15.28 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.659 2.239 . . . . 0.0 112.378 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.3 p -124.34 -6.91 7.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.8 m -143.57 153.99 43.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.2 mt -130.4 151.38 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.6 m -117.73 99.34 6.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -89.86 131.32 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.62 155.85 40.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 48.6 p90 -162.85 165.2 25.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -113.49 165.13 12.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.5 m -85.89 132.67 43.28 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.579 0.704 . . . . 0.0 111.146 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 120.17 7.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 18' ' ' PRO . 26.1 mm . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.814 0.34 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -73.34 -59.67 2.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -136.82 170.24 16.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -126.19 132.78 51.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.454 ' HD2' ' CE1' ' A' ' 91' ' ' TYR . 15.8 tttt -108.96 127.04 53.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.7 tp -118.62 134.58 55.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.957 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.498 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 19.2 m-85 -111.23 161.45 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.407 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 26.5 p90 -159.43 126.69 4.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -150.45 160.68 43.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -87.87 133.31 33.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -55.65 99.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.66 30.08 1.92 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.496 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.14 -31.23 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 111.107 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 63.23 25.31 14.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -149.99 105.02 3.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -104.65 157.53 17.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.498 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 47.8 mt-30 -112.27 -177.46 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.35 130.02 27.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 31.0 m -121.5 126.98 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -71.93 119.36 16.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.1 t -126.03 151.85 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.7 p -111.28 -36.42 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.6 m -82.21 173.44 12.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -85.18 -26.35 26.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.6 p -118.12 117.4 29.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -111.31 155.83 22.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 89.6 m -123.54 109.43 13.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.2 mt -89.61 127.47 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -117.46 150.66 38.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.58 52.51 1.42 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.5 mt -126.87 161.11 29.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -73.05 172.99 10.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -98.47 137.56 36.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.937 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.2 t80 58.54 36.56 25.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.969 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.1 m -118.04 137.91 52.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.117 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -82.42 150.58 27.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -149.07 132.68 16.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.9 t -83.17 138.21 33.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.835 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -134.14 137.17 44.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -145.13 143.73 30.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 71.4 t -111.34 133.68 56.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 88.9 t -121.8 140.8 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.425 ' HB1' ' CG ' ' A' ' 18' ' ' PRO . . . -96.82 138.24 34.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.54 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 27.3 m-85 -129.57 122.05 28.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.401 HD22 ' CD1' ' A' ' 48' ' ' ILE . 27.1 m-20 -130.45 171.95 12.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.54 -41.59 41.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -62.38 -60.01 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 165.52 170.67 30.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.54 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.6 Cg_endo -69.73 113.44 3.37 Favored 'Trans proline' 0 C--O 1.231 0.125 0 C-N-CA 122.71 2.273 . . . . 0.0 112.36 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -72.54 -139.87 0.33 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.6 m -79.04 179.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 111.123 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.2 t -128.7 136.35 50.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.2 p -60.98 158.71 32.3 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.622 0.725 . . . . 0.0 111.131 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 131.06 20.43 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -38.94 132.37 1.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.466 HG23 ' CD2' ' A' ' 24' ' ' LEU . 71.7 t -118.01 79.75 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.59 135.83 47.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.5 p -144.02 146.13 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -102.37 127.04 49.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.8 p -69.49 178.48 2.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.178 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 25.1 mt -78.6 155.17 29.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.4 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.613 0.721 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.465 ' CG ' ' HB2' ' A' ' 90' ' ' ALA . 53.8 Cg_endo -69.77 173.86 10.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.246 . . . . 0.0 112.328 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -107.88 172.11 16.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 122.89 9.56 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.77 107.04 0.72 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 111.047 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -176.02 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.734 2.289 . . . . 0.0 112.346 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.451 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 26.3 m120 39.35 44.5 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.45 ' CD1' ' HB3' ' A' ' 38' ' ' TRP . 19.7 tp -77.28 103.8 7.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -132.35 138.17 47.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.36 133.58 44.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -132.52 132.57 42.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.76 113.98 13.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.71 -27.82 36.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.5 m -146.31 160.61 41.83 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.644 0.735 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -8.6 24.02 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.733 2.289 . . . . 0.0 112.331 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.0 p -125.51 0.94 7.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 m -147.27 149.1 32.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.416 HD13 ' CD1' ' A' ' 78' ' ' LEU . 81.9 mt -130.22 147.56 33.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.3 m -116.53 96.8 5.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.0 t -84.13 137.9 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 p -128.0 155.72 43.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.45 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 48.9 p90 -162.04 160.8 27.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.451 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 20.5 mm-40 -107.72 165.12 11.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.4 m -85.98 133.05 41.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.63 0.729 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 123.53 10.2 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.713 2.275 . . . . 0.0 112.382 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.0 mm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.751 0.31 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -60.42 -38.56 84.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -164.82 153.56 12.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -99.3 118.21 35.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.49 129.29 37.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.937 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.5 tp -122.7 119.39 30.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.465 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 1.9 m-85 -100.46 157.86 16.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -161.04 128.67 4.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -149.2 161.82 41.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -90.27 129.09 36.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -53.44 100.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.24 34.6 1.44 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 m -121.64 -28.15 4.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.348 . . . . 0.0 111.188 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 64.01 29.08 14.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -147.18 106.66 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -88.94 146.16 25.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.465 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 68.3 mt-30 -113.67 179.2 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.954 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -149.13 133.26 17.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.5 m -131.56 136.79 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -70.48 127.33 32.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.1 t -131.24 126.66 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 m -105.47 53.49 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -173.74 179.19 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -90.76 -24.07 20.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.7 p -128.38 118.44 23.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -117.28 163.75 15.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.9 m -129.13 117.78 21.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 97.7 mt -99.36 122.33 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -111.11 158.68 18.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.64 48.42 2.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.444 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.416 ' CD1' HD13 ' A' ' 34' ' ' ILE . 47.2 mt -124.43 170.11 11.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.909 0.385 . . . . 0.0 110.888 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -82.43 175.43 10.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.9 142.4 34.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.406 ' CD1' ' HB3' ' A' ' 109' ' ' SER . 3.3 t80 58.91 28.29 17.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.411 HG21 ' N ' ' A' ' 83' ' ' GLU . 60.6 m -113.43 137.5 51.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.101 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.411 ' N ' HG21 ' A' ' 82' ' ' THR . 15.2 tt0 -80.02 149.29 30.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -145.13 133.74 22.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 t -90.11 138.5 31.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -134.28 135.87 43.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -143.53 137.75 28.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.1 t -111.0 128.6 67.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 85.0 t -121.6 133.12 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.465 ' HB2' ' CG ' ' A' ' 18' ' ' PRO . . . -87.29 136.82 32.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' A' ' 96' ' ' PRO . 53.1 m-85 -123.77 108.63 12.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -103.68 158.37 16.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -42.78 -29.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -76.49 -63.56 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 178.12 171.86 41.93 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.518 ' HB3' ' CE1' ' A' ' 91' ' ' TYR . 53.9 Cg_endo -69.73 113.67 3.45 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.52 -115.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.5 m -98.59 -175.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.168 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.8 t -132.84 123.11 25.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.2 156.2 7.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.592 0.711 . . . . 0.0 111.089 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 134.1 27.17 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.367 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -42.61 131.72 3.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.5 t -115.62 82.56 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.11 122.15 23.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.0 p -131.47 145.09 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.5 ttm-85 -102.1 131.75 48.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 10.6 p -72.7 179.98 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.79 156.82 27.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.406 ' HB3' ' CD1' ' A' ' 81' ' ' TYR . 60.5 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.537 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 4.4 mm? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.565 0.697 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.471 ' HD2' ' CD1' ' A' ' 17' ' ' LEU . 53.1 Cg_endo -69.81 168.79 20.61 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.293 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.86 171.35 34.33 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 141.57 45.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.648 2.232 . . . . 0.0 112.3 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.54 111.74 8.3 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.577 0.703 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 23' ' ' ASN . 53.5 Cg_endo -69.81 -177.17 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 22' ' ' PRO . 1.0 OUTLIER 35.31 52.54 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.5 tp -84.51 105.18 15.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -116.61 158.72 23.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -159.0 127.03 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -140.4 149.84 43.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.944 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' ' 107' ' ' THR . . . -84.83 108.45 17.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.123 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.61 -24.67 56.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 m -154.39 160.03 31.34 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.67 0.748 . . . . 0.0 110.839 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 1.51 4.34 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.739 2.293 . . . . 0.0 112.354 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.9 p -131.36 1.28 4.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 p -145.34 172.67 12.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.5 mt -151.88 127.72 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.4 m -98.34 133.0 43.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.17 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 t -127.39 128.2 69.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.3 p -124.39 131.42 53.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.461 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 48.2 p90 -134.45 168.59 18.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -114.43 164.79 13.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 55.1 m -86.29 134.85 37.59 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.575 0.702 . . . . 0.0 111.127 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 111.72 2.88 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.709 2.272 . . . . 0.0 112.345 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.7 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.099 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.3 mm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.745 0.307 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -88.95 -56.73 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -148.58 166.76 27.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -114.14 125.73 54.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.418 ' CG ' ' CE1' ' A' ' 54' ' ' TYR . 1.9 tppp? -99.91 131.49 45.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.8 tp -126.92 116.84 21.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.435 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 2.8 m-85 -99.16 157.6 16.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -155.57 137.49 14.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -155.67 161.48 40.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -86.93 129.86 34.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -53.72 91.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.88 40.06 0.5 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.87 -35.04 2.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 111.146 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.6 t70 71.86 25.28 3.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.34 116.31 4.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -110.56 158.91 18.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -114.05 -177.48 3.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.34 129.77 27.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.8 m -121.59 125.4 73.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.49 118.09 14.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 69' ' ' SER . 88.4 t -122.99 156.14 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.433 ' N ' HG13 ' A' ' 68' ' ' VAL . 87.6 p -113.53 -37.21 4.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.6 m -88.54 161.33 17.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.461 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 72.0 m80 -68.05 -33.25 74.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 97.2 p -112.0 126.84 55.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -125.2 162.93 23.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.971 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 62.6 m -125.98 120.12 29.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.1 mt -102.36 111.2 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -104.29 156.37 17.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.25 44.97 2.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.52 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.1 mt -120.77 170.22 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.896 0.379 . . . . 0.0 110.92 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.5 mtmm -80.96 168.44 18.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -92.12 147.27 23.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.3 t80 43.46 52.45 5.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.037 0.446 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.1 m -133.52 133.0 41.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.164 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -69.23 151.56 46.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -152.24 128.41 10.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -83.15 152.16 25.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -146.36 136.04 23.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.435 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 28.6 ptt180 -147.17 133.6 19.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.0 t -107.17 143.65 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.0 t -132.6 137.6 53.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.57 125.39 35.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 24.3 m-85 -112.91 120.84 42.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -121.34 167.41 12.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -44.12 -33.41 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -73.15 -57.76 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 169.56 -177.45 43.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.557 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.8 Cg_endo -69.76 128.64 16.32 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.369 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.478 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -86.73 -154.28 25.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.443 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.5 m -55.57 -175.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.7 t -143.43 106.94 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.2 p -40.88 154.66 0.21 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.565 0.697 . . . . 0.0 111.165 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 102' ' ' ASP . 53.1 Cg_endo -69.8 130.51 19.41 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 101' ' ' PRO . 1.2 m-20 -34.63 138.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.5 t -125.06 77.98 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.4 136.25 54.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.1 p -144.48 137.82 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.163 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -92.28 129.92 38.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.463 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 13.5 p -74.1 -177.2 2.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.3 mt -89.06 164.36 15.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.91 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.553 0.692 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 164.22 35.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.09 176.75 28.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.418 ' HD3' ' CG2' ' A' ' 98' ' ' VAL . 54.2 Cg_endo -69.73 121.82 8.51 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.648 2.232 . . . . 0.0 112.399 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.99 111.4 2.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.552 0.692 . . . . 0.0 111.099 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 178.34 4.71 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.409 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 25.9 m120 47.05 40.26 9.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.461 ' CD2' ' HB ' ' A' ' 100' ' ' THR . 52.9 tp -75.44 104.56 6.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.1 mmm-85 -116.34 159.24 22.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.34 126.76 7.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.558 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 41.5 p90 -143.54 138.57 29.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.53 105.55 10.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.46 -38.85 85.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -140.99 163.5 42.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.668 0.747 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.93 3.99 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.716 2.278 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.0 p -127.72 -18.94 4.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 p -128.34 168.19 15.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.4 mt -143.17 137.35 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.558 ' HB ' ' CE1' ' A' ' 27' ' ' TYR . 87.9 m -103.38 137.19 41.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.3 t -133.81 127.19 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.8 p -124.68 131.54 53.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.545 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 45.5 p90 -134.52 167.73 20.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.409 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 50.8 mm-40 -118.93 165.25 14.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.5 m -85.73 133.03 42.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 0.0 111.17 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 112.96 3.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.29 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.915 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 49' ' ' GLN . 51.4 mm . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.792 0.33 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.409 ' N ' HG22 ' A' ' 48' ' ' ILE . 32.6 mt-30 -109.72 -53.75 2.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -143.86 151.06 39.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -110.96 116.79 31.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -90.97 118.54 30.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.9 tp -114.48 112.03 22.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -86.59 148.44 25.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -149.97 125.85 10.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.945 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -154.36 162.36 41.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 30.7 tt0 -86.13 133.57 33.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.97 99.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.54 42.76 0.94 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.429 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -128.72 -39.39 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.323 . . . . 0.0 111.163 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.3 t70 68.57 27.87 6.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -133.13 62.31 1.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -57.17 142.33 43.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -114.09 -177.64 3.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 1.3 p-10 -149.13 135.46 19.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.2 m -133.75 121.91 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -68.94 109.06 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 69' ' ' SER . 82.6 t -109.31 146.2 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.413 ' N ' HG12 ' A' ' 68' ' ' VAL . 58.7 m -102.99 -35.86 8.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.6 p -89.31 155.95 19.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.545 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 31.4 m80 -64.02 -26.4 68.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.5 m -119.67 133.99 55.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.444 ' CG ' ' N ' ' A' ' 74' ' ' THR . 71.7 t80 -126.3 170.18 12.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' A' ' 73' ' ' TYR . 37.6 m -135.03 110.34 9.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.11 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 95.5 mt -93.32 126.85 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -119.57 169.48 10.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.94 56.55 3.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.3 mt -127.2 169.89 12.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -77.1 154.85 32.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -83.33 148.31 27.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.8 t80 47.15 42.72 13.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.3 m -123.85 154.61 39.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.14 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -94.25 149.92 20.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 67.1 m-85 -145.69 132.06 19.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.76 152.11 24.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -147.2 134.28 20.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -150.95 126.23 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 84.4 t -96.01 148.22 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 70.6 t -136.43 140.46 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.98 129.53 34.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.526 ' CE1' ' HB3' ' A' ' 96' ' ' PRO . 33.7 m-85 -127.46 106.88 9.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -128.6 172.31 11.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 94' ' ' HIS . 16.9 ptpt -41.7 -43.18 2.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.462 ' N ' ' HG3' ' A' ' 93' ' ' LYS . 56.7 m-70 -58.98 -67.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 163.46 171.7 30.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.526 ' HB3' ' CE1' ' A' ' 91' ' ' TYR . 53.6 Cg_endo -69.76 110.41 2.55 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.343 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -73.76 -123.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.418 ' CG2' ' HD3' ' A' ' 20' ' ' PRO . 13.3 m -89.05 168.75 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 111.135 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.2 t -122.76 116.65 24.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.461 ' HB ' ' CD2' ' A' ' 24' ' ' LEU . 16.4 p -43.12 155.43 0.28 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.54 0.686 . . . . 0.0 111.16 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 130.6 19.59 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -41.89 134.91 2.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.446 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 43.8 t -119.52 74.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.32 127.67 32.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.9 p -138.28 141.73 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 35.7 ttp180 -95.7 130.05 42.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 20.7 p -69.11 178.06 2.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 37.9 mt -79.76 153.06 29.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.932 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.645 0.736 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.413 ' HB3' ' ND2' ' A' ' 92' ' ' ASN . 54.1 Cg_endo -69.78 158.87 55.46 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.661 2.241 . . . . 0.0 112.352 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.53 179.51 31.88 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.465 ' HD3' ' CG2' ' A' ' 98' ' ' VAL . 54.4 Cg_endo -69.73 136.05 32.08 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.16 111.99 7.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.583 0.706 . . . . 0.0 111.07 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -179.46 2.94 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.424 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 25.9 m120 45.43 43.32 8.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.434 ' CD1' ' HB3' ' A' ' 38' ' ' TRP . 53.9 tp -80.38 100.52 8.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -109.2 150.66 27.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -147.39 129.57 15.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.076 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -150.69 138.88 20.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.33 102.89 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.068 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.79 -27.64 66.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 p -149.31 158.28 38.48 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.685 0.755 . . . . 0.0 110.829 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 1.03 4.8 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.36 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.4 p -130.04 -7.0 4.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.198 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.14 176.96 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.563 HG21 ' CE2' ' A' ' 86' ' ' PHE . 58.3 mt -155.37 122.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.2 m -98.91 132.43 44.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.3 t -125.42 131.61 72.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.2 p -124.65 146.19 49.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.434 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 31.4 p90 -150.67 174.2 13.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.424 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 10.0 mm-40 -123.84 165.52 17.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 55.5 m -85.47 135.77 38.21 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.58 0.705 . . . . 0.0 111.15 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 120.41 7.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.381 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.538 HG21 ' CE1' ' A' ' 51' ' ' TYR . 46.7 mm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.764 0.316 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -77.35 -44.75 28.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -159.82 164.49 33.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.538 ' CE1' HG21 ' A' ' 48' ' ' ILE . 63.7 m-85 -118.65 123.48 45.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -103.8 122.31 44.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.3 tp -110.59 130.12 55.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 15.1 m-85 -102.39 158.3 16.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -162.05 128.88 3.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -159.06 161.6 36.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.564 ' HG3' ' CE2' ' A' ' 84' ' ' TYR . 30.9 mt-10 -81.63 144.46 31.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -67.69 107.46 2.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.89 44.49 2.07 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -127.74 -28.35 2.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 0.0 111.104 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 63.34 25.3 14.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -134.95 83.33 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -77.65 150.88 34.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.595 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 41.2 mt-30 -126.32 176.78 6.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -142.58 144.58 32.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.7 m -133.64 145.5 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.35 120.77 22.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 69' ' ' SER . 62.0 t -140.13 139.14 37.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.426 ' N ' HG13 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -131.24 47.58 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.831 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.9 p -154.46 168.24 27.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -91.62 22.64 3.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.6 p -169.26 126.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -138.96 150.13 45.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.1 m -121.89 126.98 49.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.5 mt -106.05 114.09 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -104.35 157.94 16.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.12 50.28 2.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 39.1 mt -122.76 166.4 15.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -76.65 168.74 19.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -95.19 151.58 19.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.6 t80 45.37 45.53 10.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.5 m -132.69 139.61 47.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -78.8 155.27 29.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 57' ' ' GLU . 41.6 m-85 -150.43 130.22 13.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.2 t -83.58 153.22 24.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.563 ' CE2' HG21 ' A' ' 34' ' ' ILE . 85.9 m-85 -151.27 131.32 13.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.437 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 13.1 ptt180 -149.16 135.11 18.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 95.0 t -106.22 147.0 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.6 t -123.95 135.36 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.08 145.26 26.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.056 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 24.0 m-85 -129.85 142.56 50.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.413 ' ND2' ' HB3' ' A' ' 18' ' ' PRO . 20.2 m-20 -148.02 155.6 41.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -38.57 -37.21 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -69.16 -62.85 1.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.837 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 174.33 169.3 36.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.443 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.5 Cg_endo -69.72 112.49 3.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 0.0 112.355 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -73.3 -157.25 4.18 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.465 ' CG2' ' HD3' ' A' ' 20' ' ' PRO . 21.8 m -57.99 -175.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.133 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.7 t -138.67 146.2 41.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 49.2 p -64.75 152.7 89.63 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.525 0.678 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 102' ' ' ASP . 53.8 Cg_endo -69.75 131.52 21.41 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.382 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 101' ' ' PRO . 13.0 m-20 -34.94 134.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.2 t -120.31 80.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.19 137.68 43.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 106' ' ' ARG . 11.8 p -145.7 144.94 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.42 ' N ' HG23 ' A' ' 105' ' ' VAL . 28.4 ttm180 -93.94 135.19 35.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.3 p -78.36 163.3 25.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.0 mt -66.69 136.74 55.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.3 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.929 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.427 ' CD2' ' HA2' ' A' ' 97' ' ' GLY . 2.4 mp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 121.639 0.733 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 157.8 59.22 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.87 177.5 31.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 136.46 33.06 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.676 2.251 . . . . 0.0 112.34 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.16 118.61 37.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.559 0.695 . . . . 0.0 111.111 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 23' ' ' ASN . 53.5 Cg_endo -69.78 -175.32 1.12 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.691 2.26 . . . . 0.0 112.372 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 22' ' ' PRO . 1.0 OUTLIER 34.27 46.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.0 tp -79.47 101.93 8.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -112.59 155.44 24.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.72 128.84 11.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -147.41 148.44 31.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.94 112.86 23.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.086 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.32 -40.27 58.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -135.92 161.56 61.96 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.624 0.726 . . . . 0.0 110.877 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 1.84 4.08 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.644 2.229 . . . . 0.0 112.319 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.0 p -132.86 0.83 3.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.404 ' C ' HG13 ' A' ' 34' ' ' ILE . 3.4 p -142.79 173.31 11.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.427 HD11 ' CD1' ' A' ' 78' ' ' LEU . 97.2 mt -151.92 127.45 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.8 m -99.99 129.85 46.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.3 t -121.43 133.25 68.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 62.2 p -128.21 130.52 48.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 49.0 p90 -133.58 173.44 11.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -121.95 165.0 16.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.0 m -85.98 131.95 45.27 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.571 0.7 . . . . 0.0 111.166 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 109.16 2.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.304 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.908 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.8 mm . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.778 0.323 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -71.63 -57.81 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -151.53 150.47 30.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -93.13 118.71 31.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.537 ' HG3' ' CE1' ' A' ' 54' ' ' TYR . 10.0 tptm -92.83 102.54 14.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.6 tp -99.25 133.12 44.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.537 ' CE1' ' HG3' ' A' ' 52' ' ' LYS . 2.0 m-85 -113.01 161.82 16.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -162.13 142.5 10.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.934 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -158.74 162.02 37.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.554 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 63.9 tt0 -95.95 105.6 17.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 57' ' ' GLU . 1.3 tppt? -29.56 101.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.14 -38.16 1.94 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -30.75 40.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.728 0.299 . . . . 0.0 111.133 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 67.81 24.95 8.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -156.02 120.7 4.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.9 pm0 -101.21 153.58 19.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -109.78 -174.3 2.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -141.36 133.1 27.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.2 m -130.54 129.34 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -69.16 129.95 41.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.3 t -143.3 137.59 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.6 m -123.19 46.88 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.7 m -159.09 162.82 36.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -89.77 31.12 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.2 p -171.84 126.61 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -139.86 159.98 40.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.936 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 56.2 m -131.08 119.78 22.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 85.7 mt -102.38 105.6 18.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -98.02 163.58 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.8 50.5 3.5 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.504 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.427 ' CD1' HD11 ' A' ' 34' ' ' ILE . 49.5 mt -122.49 168.77 11.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.882 0.372 . . . . 0.0 110.958 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -75.77 158.47 32.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -86.35 139.72 30.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 21.0 t80 53.39 51.4 15.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.1 m -135.21 141.55 45.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.107 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -81.2 151.51 28.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 57' ' ' GLU . 39.1 m-85 -145.9 129.33 16.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.943 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 t -83.6 142.44 30.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -137.77 138.12 38.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -150.18 133.45 16.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 96.9 t -102.74 137.5 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.515 HG13 ' CE2' ' A' ' 91' ' ' TYR . 54.8 t -124.48 131.87 72.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -88.92 119.76 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.076 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 96' ' ' PRO . 31.6 m-85 -112.41 114.23 26.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -124.78 170.15 11.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -43.2 -48.25 6.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -56.16 -57.81 10.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 156.71 173.1 24.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.448 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 91' ' ' TYR . 53.5 Cg_endo -69.82 107.82 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 0.0 112.296 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.427 ' HA2' ' CD2' ' A' ' 17' ' ' LEU . . . -64.43 -113.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.5 m -104.46 179.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 111.086 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.3 t -126.92 129.3 47.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.9 p -55.63 157.8 6.98 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.544 0.688 . . . . 0.0 111.164 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 102' ' ' ASP . 54.1 Cg_endo -69.77 130.98 20.27 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.637 2.225 . . . . 0.0 112.378 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 101' ' ' PRO . 3.3 m-20 -37.26 129.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.421 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 55.7 t -118.42 73.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.42 140.09 58.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.6 p -144.48 139.11 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 47.2 ttm-85 -91.34 133.69 35.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.6 p -79.56 164.78 23.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 64.7 mt -69.48 141.06 54.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.909 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.531 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 4.6 mm? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.617 0.723 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 174.98 8.72 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.714 2.276 . . . . 0.0 112.327 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.01 170.56 20.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.461 ' HD3' ' CG2' ' A' ' 98' ' ' VAL . 53.6 Cg_endo -69.75 113.03 3.24 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.683 2.256 . . . . 0.0 112.322 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.87 111.91 1.08 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.527 0.679 . . . . 0.0 111.059 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' ASN . 54.1 Cg_endo -69.78 -174.2 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.704 2.269 . . . . 0.0 112.299 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.452 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER 34.4 51.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.6 tp -84.76 104.19 14.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.2 mmm-85 -114.18 168.03 10.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -165.51 127.51 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.066 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -141.66 143.91 33.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.84 106.49 15.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.117 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.25 -36.91 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -143.17 162.14 44.49 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.65 0.738 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 1.67 4.22 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.737 2.291 . . . . 0.0 112.341 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.8 p -125.63 -20.72 4.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 p -126.95 171.44 11.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.809 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.9 mt -147.97 126.36 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.9 m -94.26 126.57 39.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.1 t -124.09 135.53 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 37.5 p -131.08 140.03 49.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.09 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 49.3 p90 -142.31 165.28 27.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.452 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 25.2 mm-40 -109.35 163.65 13.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.8 m -86.75 132.07 43.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 111.107 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 115.46 4.11 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.653 2.235 . . . . 0.0 112.356 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 179.929 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.8 mm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.802 0.334 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.425 ' NE2' ' HB3' ' A' ' 93' ' ' LYS . 55.6 mt-30 -80.18 -45.81 17.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -156.76 140.95 16.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -93.61 130.0 39.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HA ' ' CE ' ' A' ' 52' ' ' LYS . 1.1 tpmt? -100.62 122.46 43.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.3 tp -116.37 127.3 54.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.472 ' N ' ' CD1' ' A' ' 54' ' ' TYR . 1.1 m-85 -108.33 161.25 15.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.428 ' CE1' ' HB2' ' A' ' 64' ' ' GLN . 33.1 p90 -162.1 139.29 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.47 ' HB3' ' CB ' ' A' ' 63' ' ' GLU . 2.2 ptt? -159.03 161.87 36.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.433 ' HG3' ' CG2' ' A' ' 82' ' ' THR . 20.7 tt0 -85.35 132.14 34.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -55.6 97.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.67 42.3 0.74 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -133.16 -34.28 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.329 . . . . 0.0 111.124 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.6 t0 68.12 25.02 7.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -149.66 107.34 3.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 56' ' ' MET . 2.9 pt-20 -106.61 158.63 16.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.428 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 61.5 mt-30 -106.42 172.92 6.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -128.8 127.92 42.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.2 m -126.52 129.54 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.69 117.64 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.4 t -118.81 132.3 69.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.0 m -116.24 51.36 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.0 m -166.45 -178.6 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -85.61 -33.73 21.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 94.7 p -123.2 142.53 50.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.821 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -135.93 159.68 40.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 65.9 m -125.13 113.7 18.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 93.7 mt -96.91 107.38 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -101.5 173.02 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.1 47.73 6.88 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.465 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.9 mt -125.08 159.48 31.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.923 0.392 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -69.13 171.03 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.22 147.02 27.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.4 t80 56.05 41.64 29.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.502 HG21 ' CE2' ' A' ' 84' ' ' TYR . 36.7 m -131.33 136.84 48.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -79.7 153.56 29.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.502 ' CE2' HG21 ' A' ' 82' ' ' THR . 81.8 m-85 -152.08 133.29 14.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.964 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t -83.9 152.57 24.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -145.42 139.21 26.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.99 141.3 22.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 85.7 t -110.8 135.2 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 77.2 t -127.23 135.24 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.23 128.65 35.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 33.7 m-85 -120.86 114.41 21.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.429 ' O ' ' N ' ' A' ' 94' ' ' HIS . 34.5 p-10 -116.57 162.15 18.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.425 ' HB3' ' NE2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -39.41 -28.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 92' ' ' ASN . 50.3 m-70 -73.39 -64.35 1.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.817 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 171.8 -174.27 45.18 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.553 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.0 Cg_endo -69.72 127.57 14.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.258 . . . . 0.0 112.341 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.486 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -95.05 -157.33 32.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.486 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.461 ' CG2' ' HD3' ' A' ' 20' ' ' PRO . 20.5 m -50.71 175.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 111.153 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -132.81 118.07 18.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.1 p -56.9 158.46 8.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.629 0.728 . . . . 0.0 111.096 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 132.25 22.84 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.351 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -46.21 145.57 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.1 t -129.5 80.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.14 135.44 49.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.2 p -144.96 145.27 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -99.51 132.37 44.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 15.3 p -75.99 162.03 28.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 59.2 mt -64.74 152.13 43.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.901 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.627 0.727 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.453 ' CG ' ' HB3' ' A' ' 90' ' ' ALA . 53.6 Cg_endo -69.78 169.46 18.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.292 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.11 173.89 20.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.458 ' HD3' ' CG2' ' A' ' 98' ' ' VAL . 53.2 Cg_endo -69.83 123.65 10.29 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.665 2.243 . . . . 0.0 112.34 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.01 110.88 1.95 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.555 0.693 . . . . 0.0 111.116 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 179.95 3.33 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.1 m120 43.14 48.07 5.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.442 ' CD1' ' HB3' ' A' ' 38' ' ' TRP . 21.9 tp -78.78 107.05 11.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.94 139.29 48.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -137.08 131.18 32.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -128.38 129.77 46.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.74 104.18 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.27 -43.54 98.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.04 164.17 41.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.64 0.733 . . . . 0.0 110.866 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 3.22 2.85 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.9 p -126.56 -19.4 4.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.409 ' C ' HG13 ' A' ' 34' ' ' ILE . 87.5 p -126.83 174.36 8.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.467 HD11 ' CG2' ' A' ' 107' ' ' THR . 87.9 mt -152.71 127.63 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.099 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.7 m -100.59 109.42 21.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.416 ' C ' HG21 ' A' ' 37' ' ' THR . 49.7 t -98.53 143.34 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.179 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.416 HG21 ' C ' ' A' ' 36' ' ' VAL . 2.0 p -132.48 161.69 33.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.442 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 48.4 p90 -164.34 157.33 17.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -106.93 165.32 11.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.0 m -85.65 129.8 53.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.633 0.73 . . . . 0.0 111.111 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 110.98 2.68 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.394 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.7 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.2 mm . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.797 0.332 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -87.83 -57.46 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -147.12 159.58 43.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -113.73 141.65 47.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -110.91 112.17 23.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.2 tp -100.09 130.29 46.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 1.3 m-85 -108.17 162.35 14.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -162.14 128.61 3.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -153.04 161.5 42.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -88.13 135.36 33.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 95.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.29 40.7 0.67 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.466 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.05 -25.86 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.185 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 64.1 26.15 13.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -146.21 112.22 5.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -96.72 146.9 24.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.452 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 12.3 mm-40 -112.48 179.54 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -145.09 139.9 27.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.2 m -134.19 137.48 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.9 115.82 17.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.524 HG21 ' CD1' ' A' ' 73' ' ' TYR . 85.9 t -119.32 125.72 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.5 m -102.78 51.16 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -172.93 173.72 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.44 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 17.6 m170 -72.67 -28.55 62.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 t -129.21 151.59 49.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.524 ' CD1' HG21 ' A' ' 68' ' ' VAL . 74.8 t80 -138.35 170.86 15.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.446 ' N ' ' CG ' ' A' ' 73' ' ' TYR . 96.6 m -134.37 117.04 15.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.163 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 62.0 mt -101.72 115.45 43.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -106.02 157.51 17.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.66 53.98 2.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.533 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.8 mt -123.61 173.2 8.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.878 0.37 . . . . 0.0 110.917 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -79.85 150.2 30.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -78.18 143.79 36.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 18.2 t80 47.88 43.82 17.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.4 m -127.95 139.37 52.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -79.05 149.16 32.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -145.38 130.89 18.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -83.16 140.3 32.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -136.7 140.98 43.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -148.02 160.63 42.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 89' ' ' VAL . 77.3 t -128.93 140.08 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.077 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.442 ' N ' HG13 ' A' ' 88' ' ' VAL . 90.4 t -128.91 135.4 62.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.453 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -87.36 136.51 32.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 96' ' ' PRO . 29.8 m-85 -128.81 111.75 13.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 93' ' ' LYS . 51.5 p30 -132.42 165.06 25.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 92' ' ' ASN . 36.0 pttt -35.08 -48.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.43 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 15.9 m-70 -52.62 -67.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 165.04 176.0 36.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.555 ' HB3' ' CE1' ' A' ' 91' ' ' TYR . 53.3 Cg_endo -69.82 113.21 3.31 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.695 2.263 . . . . 0.0 112.312 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -83.39 -167.62 41.98 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.445 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.458 ' CG2' ' HD3' ' A' ' 20' ' ' PRO . 33.8 m -50.95 178.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.877 0.37 . . . . 0.0 111.128 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.6 t -132.67 135.82 46.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.7 p -57.52 158.04 12.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.708 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 102' ' ' ASP . 54.3 Cg_endo -69.75 131.93 22.29 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 2.265 . . . . 0.0 112.348 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 101' ' ' PRO . 4.9 m-20 -36.26 136.75 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.426 HG23 ' CD2' ' A' ' 24' ' ' LEU . 87.3 t -123.0 78.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.96 133.61 46.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.5 p -138.03 144.17 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -97.67 128.41 44.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.467 ' CG2' HD11 ' A' ' 34' ' ' ILE . 2.7 p -73.17 155.12 39.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 27.4 mt -55.25 148.68 14.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.841 -179.887 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.526 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 4.4 mm? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.542 0.687 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.485 ' HD2' ' CD1' ' A' ' 17' ' ' LEU . 53.7 Cg_endo -69.7 170.63 16.06 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.64 170.66 31.15 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 124.34 10.99 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.87 110.1 1.61 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.61 0.719 . . . . 0.0 111.144 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -178.14 2.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.641 2.227 . . . . 0.0 112.338 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.422 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 27.3 m120 40.49 47.24 2.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.5 tp -84.16 104.89 14.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.1 mmm-85 -113.72 170.16 8.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -164.75 126.96 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.105 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -144.36 145.19 31.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.67 105.6 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.088 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.5 -43.43 73.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -131.55 161.69 60.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.678 0.751 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 0.26 5.89 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.709 2.273 . . . . 0.0 112.359 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.8 p -132.28 3.64 3.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.15 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 p -143.63 176.12 9.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.443 HD13 ' CD1' ' A' ' 78' ' ' LEU . 80.2 mt -153.79 134.4 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.4 m -105.58 126.27 51.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.3 t -122.17 126.11 73.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.0 p -120.69 134.9 55.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.539 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 49.0 p90 -137.71 168.36 19.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.422 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 3.6 mm-40 -115.15 164.71 13.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.401 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 98.0 m -87.46 137.17 32.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.578 0.704 . . . . 0.0 111.124 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.77 112.63 3.13 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.256 . . . . 0.0 112.319 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.887 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.433 HG21 ' N ' ' A' ' 49' ' ' GLN . 50.6 mm . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.797 0.332 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.433 ' N ' HG21 ' A' ' 48' ' ' ILE . 25.8 mm-40 -86.4 -60.54 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -150.62 161.59 42.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -104.91 123.06 47.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.455 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 0.6 OUTLIER -96.84 111.5 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.5 tp -102.57 121.92 43.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.455 ' CE1' ' HG2' ' A' ' 52' ' ' LYS . 6.9 m-85 -101.34 155.87 17.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.408 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 22.3 p90 -159.72 135.9 8.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.922 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -156.97 161.12 39.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -89.74 134.14 34.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -56.49 94.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.86 40.04 0.67 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.535 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 m -126.24 -26.07 3.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.767 0.318 . . . . 0.0 111.132 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.28 25.58 15.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -147.83 105.3 3.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -95.24 151.72 18.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -113.43 176.66 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -141.89 132.59 25.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.6 m -129.35 137.77 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.9 116.31 21.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.0 t -119.22 125.89 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.3 p -81.85 -37.92 26.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.9 p -83.98 168.59 15.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.539 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 35.3 m80 -76.33 -25.52 54.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.9 p -122.63 135.49 54.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -127.71 155.63 43.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.956 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.8 m -118.7 106.35 12.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.162 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.1 mt -89.2 120.98 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -114.27 169.87 8.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.73 46.88 6.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.435 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.443 ' CD1' HD13 ' A' ' 34' ' ' ILE . 47.1 mt -118.71 163.59 16.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.908 0.385 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -74.5 165.19 25.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.3 mtmm -94.97 135.85 36.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.1 t80 62.55 45.71 6.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.456 HG23 ' N ' ' A' ' 83' ' ' GLU . 85.0 m -132.83 142.33 48.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.171 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.456 ' N ' HG23 ' A' ' 82' ' ' THR . 20.7 tt0 -84.24 154.22 23.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.435 ' CZ ' HG21 ' A' ' 82' ' ' THR . 97.4 m-85 -151.57 129.06 11.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.55 141.01 31.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.881 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.408 ' CE1' ' HB2' ' A' ' 55' ' ' TYR . 86.9 m-85 -135.02 137.86 43.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.43 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 9.2 ptt180 -147.96 139.5 23.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.1 t -107.26 144.48 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.543 HG12 ' CE1' ' A' ' 91' ' ' TYR . 91.5 t -134.07 132.63 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.99 127.64 35.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 31.1 m-85 -118.81 110.96 17.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.9 p30 -113.21 178.36 4.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.541 ' HD2' ' CE1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -48.43 -37.94 18.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.541 ' CE1' ' HD2' ' A' ' 93' ' ' LYS . 74.9 m-70 -64.86 -70.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.526 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 175.54 -169.53 42.32 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.514 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.3 Cg_endo -69.82 121.83 8.5 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.49 ' N ' HD13 ' A' ' 17' ' ' LEU . . . -86.09 -155.51 26.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 17.3 m -58.7 173.22 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.8 t -124.76 118.23 25.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.1 p -51.8 159.0 1.44 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.558 0.694 . . . . 0.0 111.131 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 130.73 19.85 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.665 2.243 . . . . 0.0 112.335 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -42.27 137.19 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.7 t -123.32 80.32 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.92 130.99 41.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.8 p -137.97 145.92 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.9 ttm-85 -98.6 126.65 44.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 44.3 p -74.54 163.84 27.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.5 mt -69.12 145.67 53.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.934 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.581 0.705 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.43 ' HD3' ' ND2' ' A' ' 92' ' ' ASN . 54.1 Cg_endo -69.79 178.52 4.5 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.315 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.1 170.23 13.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.42 ' HD3' ' CG2' ' A' ' 98' ' ' VAL . 53.7 Cg_endo -69.75 118.47 5.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.63 108.23 0.86 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.585 0.707 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -179.07 2.68 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.313 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.457 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER 40.83 44.18 1.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.7 tp -77.12 103.84 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -107.69 159.97 16.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.2 126.85 7.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.517 ' CZ ' HG21 ' A' ' 35' ' ' THR . 29.0 p90 -145.68 148.86 33.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.34 112.67 21.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.068 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.42 -12.82 57.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.051 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.69 156.51 6.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.649 0.738 . . . . 0.0 110.864 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 5.1 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.737 2.292 . . . . 0.0 112.309 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.4 p -127.41 -10.75 5.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 p -139.62 177.19 8.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.465 ' CD1' HG21 ' A' ' 107' ' ' THR . 89.1 mt -152.61 116.79 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.517 HG21 ' CZ ' ' A' ' 27' ' ' TYR . 99.5 m -87.97 133.99 33.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.9 t -129.09 132.49 67.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 59.8 p -125.55 135.09 51.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.546 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 43.6 p90 -134.55 164.33 27.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.457 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 29.0 mt-10 -111.24 165.0 12.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.8 m -86.01 130.61 49.61 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.542 0.687 . . . . 0.0 111.168 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 110.25 2.5 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.0 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.897 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.1 mm . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.822 0.344 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -78.11 -49.98 12.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -151.91 162.52 40.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -116.61 139.06 50.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.462 ' HD2' ' CE1' ' A' ' 91' ' ' TYR . 7.5 tttp -116.21 114.2 24.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.8 tp -103.1 131.42 50.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.447 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 4.3 m-85 -105.01 161.42 14.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -161.95 133.17 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -154.1 160.46 41.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.445 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 20.0 tt0 -85.31 138.34 32.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -60.86 103.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.91 43.82 1.37 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.532 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -127.64 -38.36 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 111.177 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.7 t70 73.88 28.81 1.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -154.41 110.52 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -108.55 156.35 19.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -115.21 -175.68 2.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.6 p30 -140.44 139.35 35.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.822 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.5 m -127.93 134.75 64.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -76.85 102.64 6.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.5 t -104.57 149.3 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.1 p -113.36 -30.94 6.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.1 m -100.33 150.96 22.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.546 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 39.1 m80 -54.92 -43.37 73.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 97.0 p -99.66 132.63 44.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -135.92 142.61 44.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.6 m -110.04 109.87 20.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.427 HD13 ' CE1' ' A' ' 86' ' ' PHE . 64.7 mt -87.21 110.94 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -96.83 168.86 10.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.89 62.35 2.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.501 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 60.3 mt -128.87 173.09 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.33 162.55 21.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.926 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.2 mttm -90.3 141.52 28.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 27.5 t80 47.81 45.86 18.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.437 HG23 ' CE2' ' A' ' 84' ' ' TYR . 90.8 m -130.42 132.31 45.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -74.73 148.82 40.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.445 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 49.5 m-85 -145.77 135.27 23.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.9 t -84.05 151.7 24.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.427 ' CE1' HD13 ' A' ' 75' ' ' ILE . 75.0 m-85 -146.15 139.43 25.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.447 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 6.5 ptp180 -151.1 136.74 17.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 89' ' ' VAL . 87.8 t -102.98 137.36 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.542 HG11 ' CE1' ' A' ' 91' ' ' TYR . 60.4 t -124.75 134.45 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.76 139.58 30.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.542 ' CE1' HG11 ' A' ' 89' ' ' VAL . 30.4 m-85 -129.95 111.07 12.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 93' ' ' LYS . 52.0 p-10 -123.29 161.12 25.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 92' ' ' ASN . 14.3 ptmt -34.25 -46.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -57.88 -65.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.74 175.89 38.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 108.81 2.18 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -73.11 -164.1 8.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.42 ' CG2' ' HD3' ' A' ' 20' ' ' PRO . 17.3 m -48.48 178.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 111.098 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.7 t -130.86 131.62 44.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.9 p -57.98 155.62 23.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.579 0.704 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 130.05 18.71 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.707 2.271 . . . . 0.0 112.324 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -38.06 146.01 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 81.5 t -131.8 78.61 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.44 128.47 35.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.126 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.41 HG23 ' N ' ' A' ' 106' ' ' ARG . 11.2 p -135.58 144.96 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.41 ' N ' HG23 ' A' ' 105' ' ' VAL . 37.7 ttm-85 -94.43 129.19 41.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.465 HG21 ' CD1' ' A' ' 34' ' ' ILE . 32.2 p -72.32 161.33 30.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 57.5 mt -63.27 152.74 36.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.7 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.931 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.538 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 4.4 mm? . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.589 0.709 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.489 ' HD2' ' CD1' ' A' ' 17' ' ' LEU . 54.3 Cg_endo -69.71 169.27 19.24 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.366 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.74 174.27 29.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 121.97 8.65 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.46 112.43 2.07 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.578 0.704 . . . . 0.0 111.113 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 23' ' ' ASN . 53.7 Cg_endo -69.75 -176.74 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.668 2.245 . . . . 0.0 112.342 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 22' ' ' PRO . 1.1 m-80 37.4 45.11 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.451 ' CD2' HG22 ' A' ' 103' ' ' VAL . 44.1 tp -78.44 99.6 6.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -106.61 160.06 15.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.451 ' HB2' ' CG1' ' A' ' 103' ' ' VAL . . . -158.39 126.98 5.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.509 ' CZ ' HG22 ' A' ' 35' ' ' THR . 26.1 p90 -144.72 149.92 36.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.18 105.25 16.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.057 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.34 -34.32 74.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m -142.23 163.0 42.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.671 0.748 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -4.39 13.93 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.689 2.26 . . . . 0.0 112.364 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 47.5 p -129.67 -2.11 4.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 t -134.54 173.79 11.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.404 HD12 ' CG2' ' A' ' 107' ' ' THR . 68.7 mt -150.88 131.53 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.509 HG22 ' CZ ' ' A' ' 27' ' ' TYR . 71.6 m -105.65 120.46 41.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.5 t -116.11 130.43 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 30.5 p -128.35 130.36 47.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.405 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 46.6 p90 -132.57 166.85 21.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -115.31 165.05 13.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.5 m -86.02 136.24 36.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 111.121 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 106.51 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 0.0 112.333 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.1 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.927 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.417 ' CD1' ' HB3' ' A' ' 90' ' ' ALA . 49.5 mm . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.809 0.338 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -76.66 -46.85 24.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -153.92 152.96 31.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -104.97 129.4 53.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -106.14 127.81 53.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.5 tp -119.68 117.71 29.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -96.63 155.68 16.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.447 ' CE1' ' HB2' ' A' ' 64' ' ' GLN . 25.0 p90 -155.86 137.9 14.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -155.88 157.88 37.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.459 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 14.3 tt0 -86.53 133.74 33.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.468 ' HE3' ' CB ' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -57.68 94.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.07 37.57 0.87 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.507 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -125.02 -35.16 2.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.319 . . . . 0.0 111.111 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 t0 70.75 25.38 4.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.47 110.81 4.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -104.64 158.68 16.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.447 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 21.2 mm-40 -115.77 -175.04 2.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -144.05 130.65 20.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.42 125.25 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 67' ' ' ASP . 0.5 OUTLIER -73.13 117.5 14.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 69' ' ' SER . 95.4 t -123.65 139.39 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.426 ' N ' HG12 ' A' ' 68' ' ' VAL . 63.8 m -93.17 -39.04 11.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.3 p -91.42 165.78 13.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -84.53 24.96 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.9 p -155.47 116.3 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -125.42 156.0 39.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.7 m -121.04 117.51 27.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.7 mt -98.3 112.32 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -103.73 175.24 5.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.41 48.03 25.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 60.9 mt -117.71 165.3 13.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -82.22 151.94 26.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -80.96 143.55 32.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.452 ' CD1' ' HB3' ' A' ' 109' ' ' SER . 2.8 t80 53.94 53.31 11.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.7 m -141.02 126.77 19.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.33 147.4 46.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.459 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 46.4 m-85 -143.48 130.16 20.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -82.81 148.29 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -142.98 142.13 31.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -151.03 128.61 11.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 59.6 t -101.54 138.38 25.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 69.6 t -122.52 133.22 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.417 ' HB3' ' CD1' ' A' ' 48' ' ' ILE . . . -87.08 128.24 35.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.086 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 32.1 m-85 -116.06 122.23 44.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -114.74 163.19 15.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 94' ' ' HIS . 9.4 ptpp? -39.92 -36.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.423 ' N ' ' HG3' ' A' ' 93' ' ' LYS . 20.1 m-70 -70.8 -66.64 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.538 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . -178.8 -172.45 43.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.554 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.7 Cg_endo -69.81 132.15 22.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.373 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.486 ' N ' HD13 ' A' ' 17' ' ' LEU . . . -88.16 -118.72 1.44 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.461 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 27.0 m -95.35 -177.8 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 0.0 111.133 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.0 t -129.5 110.6 11.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.6 p -44.58 158.03 0.29 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 111.125 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 130.86 20.08 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.82 132.96 1.16 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.451 HG22 ' CD2' ' A' ' 24' ' ' LEU . 74.6 t -119.92 80.9 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.159 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.468 ' CB ' ' HE3' ' A' ' 58' ' ' LYS . . . -72.97 141.26 47.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.63 143.42 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.0 ttm-85 -95.1 130.18 41.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.404 ' CG2' HD12 ' A' ' 34' ' ' ILE . 39.9 p -77.3 162.13 27.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.4 mt -66.17 138.76 57.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.452 ' HB3' ' CD1' ' A' ' 81' ' ' TYR . 95.3 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 95' ' ' GLY . 44.3 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.452 ' HD3' ' ND2' ' A' ' 92' ' ' ASN . 54.3 Cg_endo -69.75 148.08 64.37 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.683 2.255 . . . . 0.0 112.365 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.41 173.97 55.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 128.91 16.72 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.73 2.287 . . . . 0.0 112.336 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.95 112.04 4.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.712 . . . . 0.0 111.068 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -179.33 2.83 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.371 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.402 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 27.3 m120 40.83 49.32 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.6 tp -86.62 99.36 11.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.7 mmp_? -110.68 163.85 13.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.454 ' CB ' HG13 ' A' ' 103' ' ' VAL . . . -156.75 127.43 6.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.469 ' CZ ' HG23 ' A' ' 35' ' ' THR . 37.5 p90 -143.17 139.2 30.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.78 106.62 9.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.05 -37.3 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -144.94 162.32 38.63 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.661 0.743 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 1.8 4.1 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.323 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.3 p -131.48 -1.73 3.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.4 p -143.44 170.19 16.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.1 mt -147.16 134.76 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.469 HG23 ' CZ ' ' A' ' 27' ' ' TYR . 67.3 m -105.5 132.07 52.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.0 t -125.49 130.24 72.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.9 p -123.39 133.65 54.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 41.4 p90 -139.56 166.46 24.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.402 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 5.6 mm-40 -116.77 165.34 13.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.5 m -85.7 133.24 42.15 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.613 0.721 . . . . 0.0 111.114 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 114.92 3.87 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.249 . . . . 0.0 112.341 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.912 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.478 HG23 ' CE1' ' A' ' 51' ' ' TYR . 20.6 mm . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.828 0.347 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -60.4 -53.75 53.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -157.19 165.73 35.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.478 ' CE1' HG23 ' A' ' 48' ' ' ILE . 27.7 m-85 -113.03 125.6 54.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.97 123.3 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.7 tp -114.46 113.58 24.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.451 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 4.9 m-85 -91.22 159.12 16.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.423 ' CZ ' ' NE2' ' A' ' 64' ' ' GLN . 13.4 p90 -161.85 137.03 7.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -156.36 162.15 40.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 58' ' ' LYS . 10.3 tt0 -94.31 110.47 22.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' GLU . 13.9 tptp -33.86 104.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 128.32 -39.0 1.96 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.528 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -29.4 54.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.323 . . . . 0.0 111.084 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 64.02 25.04 13.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -151.11 118.04 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.71 157.65 16.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.423 ' NE2' ' CZ ' ' A' ' 55' ' ' TYR . 18.7 mt-30 -114.72 -174.74 2.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.53 130.01 25.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.1 m -128.23 138.83 53.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -73.45 123.98 24.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.4 t -130.48 123.89 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.2 m -110.96 37.01 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.2 m -152.05 146.51 25.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -55.75 -32.22 63.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.8 p -120.13 150.12 41.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -141.89 157.57 44.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.9 m -128.88 113.93 15.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.2 mt -94.39 122.41 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.01 157.53 21.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.83 56.13 2.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 26.5 mt -129.28 168.31 16.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -82.45 166.43 19.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.95 146.86 23.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.5 t80 52.65 44.58 29.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 83' ' ' GLU . 98.4 m -129.32 135.25 48.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.409 ' N ' HG22 ' A' ' 82' ' ' THR . 10.4 tt0 -76.63 145.43 38.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -141.79 132.78 26.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.7 t -88.13 151.74 22.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -147.52 140.22 24.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.451 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 6.1 ptp180 -151.05 138.49 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 90.5 t -108.16 139.77 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 86.8 t -135.64 143.78 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -96.52 122.73 39.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.122 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.54 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 21.2 m-85 -108.79 112.5 24.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.452 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 43.8 p-10 -124.28 161.52 25.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 92' ' ' ASN . 4.8 ptpp? -36.01 -41.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -62.78 -67.36 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.5 ' O ' ' CD2' ' A' ' 17' ' ' LEU . . . 174.03 172.22 39.1 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.54 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.5 Cg_endo -69.79 87.52 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -51.46 -174.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.3 m -42.98 166.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.343 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.8 t -127.23 137.28 52.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.49 158.29 21.91 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.568 0.699 . . . . 0.0 111.165 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 130.97 20.28 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.679 2.253 . . . . 0.0 112.348 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -40.69 139.29 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.454 HG13 ' CB ' ' A' ' 26' ' ' ALA . 86.4 t -121.68 79.79 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.43 136.64 51.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.1 p -147.02 145.88 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 42.9 ttm-85 -101.05 131.04 47.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.4 p -72.01 171.96 10.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.176 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 46.6 mt -74.77 143.98 43.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.528 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 4.4 mm? . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.633 0.73 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.483 ' HD2' ' CD1' ' A' ' 17' ' ' LEU . 54.2 Cg_endo -69.77 154.6 67.52 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.274 . . . . 0.0 112.33 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.23 167.25 54.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.448 ' HD3' ' CG2' ' A' ' 98' ' ' VAL . 53.7 Cg_endo -69.75 134.84 28.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.366 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.63 109.97 2.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.569 0.7 . . . . 0.0 111.118 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -178.4 2.32 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.414 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 24.1 m120 44.28 42.85 5.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.443 ' CD2' HG22 ' A' ' 103' ' ' VAL . 60.1 tp -76.92 102.59 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -111.94 163.0 14.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -160.75 127.0 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -143.49 148.63 36.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.66 109.45 20.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.076 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.78 -38.65 58.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.2 m -138.41 158.41 70.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.643 0.735 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.95 2.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.8 p -131.95 -3.2 3.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 p -138.76 176.86 8.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.814 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.431 ' CD1' ' CG2' ' A' ' 107' ' ' THR . 62.3 mt -156.42 129.42 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.7 m -103.22 139.74 38.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.6 t -132.92 131.75 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.1 p -123.67 129.82 51.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.509 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 49.0 p90 -134.01 162.92 30.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.981 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.414 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 33.4 mm-40 -114.34 165.22 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.426 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 89.5 m -85.67 137.95 35.89 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.589 0.709 . . . . 0.0 111.173 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.426 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.82 124.6 11.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.917 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.5 mm . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.784 0.326 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.445 ' N ' ' CD ' ' A' ' 49' ' ' GLN . 2.7 mp0 -118.48 -38.62 3.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -143.37 160.39 40.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -127.49 117.21 21.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.562 ' HD2' ' CE1' ' A' ' 91' ' ' TYR . 10.4 ttmm -90.27 131.91 35.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.7 tp -121.13 125.39 47.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.435 ' N ' ' CD1' ' A' ' 54' ' ' TYR . 1.6 m-85 -103.21 148.1 26.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -151.58 133.12 14.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -157.18 162.23 39.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.552 ' HG3' ' CE2' ' A' ' 84' ' ' TYR . 33.7 mt-10 -82.21 136.81 35.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -59.88 101.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.86 42.95 2.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.469 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 m -124.27 -35.51 2.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 111.164 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t70 71.48 27.7 3.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -134.8 82.4 1.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.401 ' OE2' ' NE ' ' A' ' 87' ' ' ARG . 4.0 tt0 -73.38 150.47 41.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.409 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 28.1 mt-30 -122.93 -179.47 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -153.72 130.79 11.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.5 m -127.56 132.81 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -77.82 117.15 18.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.8 t -124.3 145.67 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.6 t -103.27 -36.48 8.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.6 m -80.82 172.11 14.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.509 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 16.8 m80 -79.73 -34.16 40.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.9 p -112.04 143.59 42.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -139.29 149.91 44.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.7 m -117.45 116.41 27.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.9 mt -95.53 118.18 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -105.78 172.06 7.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.3 56.45 4.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.446 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.9 mt -129.15 162.44 27.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -76.66 170.98 15.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -97.68 141.96 30.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.7 t80 55.87 44.09 26.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.4 m -127.01 136.03 51.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.158 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -79.0 144.83 34.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 57' ' ' GLU . 42.1 m-85 -140.75 130.15 23.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.0 t -84.31 149.64 25.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -146.28 140.53 26.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.426 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 5.5 ptp180 -151.01 132.7 14.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 72.0 t -100.54 129.63 51.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.533 HG12 ' CE1' ' A' ' 91' ' ' TYR . 91.0 t -118.78 137.81 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.98 125.11 33.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 23.5 m-85 -121.41 108.2 13.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -117.69 171.25 8.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -42.66 -41.87 3.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -61.85 -70.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.528 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 177.03 -178.59 48.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.0 Cg_endo -69.69 125.65 12.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 0.0 112.387 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.484 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -93.59 -168.8 38.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.448 ' CG2' ' HD3' ' A' ' 20' ' ' PRO . 18.3 m -43.17 167.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.1 t -125.85 124.09 40.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.3 p -55.08 157.24 6.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 0.0 111.129 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 130.72 19.76 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.637 2.225 . . . . 0.0 112.327 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -38.55 133.99 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.443 HG22 ' CD2' ' A' ' 24' ' ' LEU . 79.1 t -118.74 77.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.32 139.55 54.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.1 p -145.44 141.78 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.3 ttm105 -90.86 125.29 35.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.431 ' CG2' ' CD1' ' A' ' 34' ' ' ILE . 3.8 p -73.29 154.45 40.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.9 mt -56.93 141.86 43.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.687 0.756 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.422 ' HD3' ' ND2' ' A' ' 92' ' ' ASN . 53.9 Cg_endo -69.78 -179.54 2.99 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.686 2.258 . . . . 0.0 112.345 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.28 168.73 13.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HD3' ' CG2' ' A' ' 98' ' ' VAL . 53.6 Cg_endo -69.77 132.84 24.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.42 112.24 5.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.554 0.693 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 23' ' ' ASN . 53.4 Cg_endo -69.77 -174.11 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.702 2.268 . . . . 0.0 112.34 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 22' ' ' PRO . 1.0 OUTLIER 33.99 51.6 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.1 tp -82.32 106.22 14.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 mmm-85 -111.77 162.3 15.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.422 ' CB ' HG13 ' A' ' 103' ' ' VAL . . . -160.95 126.64 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.509 ' CZ ' HG21 ' A' ' 35' ' ' THR . 23.3 p90 -144.46 145.52 31.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.406 ' CB ' ' HA ' ' A' ' 107' ' ' THR . . . -87.42 107.51 18.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.54 -35.56 70.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 m -137.65 160.81 63.57 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.665 0.745 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -1.94 9.31 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.643 2.229 . . . . 0.0 112.388 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.3 p -126.42 -16.6 5.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.8 m -130.21 169.35 15.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.455 HD13 ' CD1' ' A' ' 78' ' ' LEU . 94.1 mt -144.01 148.79 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.509 HG21 ' CZ ' ' A' ' 27' ' ' TYR . 78.4 m -117.73 117.03 28.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.3 t -111.99 134.97 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 46.5 p -132.03 130.36 41.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.601 ' CZ2' ' O ' ' A' ' 71' ' ' HIS . 39.7 p90 -129.66 169.09 15.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -115.75 164.54 14.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.4 m -86.1 130.96 48.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 111.142 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 108.56 2.12 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.707 2.271 . . . . 0.0 112.326 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.159 179.894 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.4 mm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.753 0.311 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -79.15 -54.1 6.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -141.83 154.71 45.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -108.5 137.83 45.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -107.97 135.04 50.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.3 tp -131.67 115.5 16.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.551 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 1.5 m-85 -95.58 158.7 15.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -159.97 132.79 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.5 ptt? -158.68 162.1 37.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.404 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 19.6 tt0 -82.19 133.43 35.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -60.38 99.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.23 42.77 0.88 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.73 -32.31 1.48 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.747 0.308 . . . . 0.0 111.118 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 0.5 OUTLIER 67.84 26.43 7.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.48 75.67 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.0 149.59 49.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.551 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 69.8 mt-30 -121.69 175.1 6.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.02 130.79 15.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.9 m -128.12 141.05 47.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -84.31 116.36 22.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 69' ' ' SER . 62.2 t -117.7 152.15 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.413 ' N ' HG13 ' A' ' 68' ' ' VAL . 14.0 t -107.63 -37.51 6.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.6 m -95.52 155.17 16.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.601 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 71.5 m80 -60.61 -38.55 85.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.4 m -103.03 123.33 46.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -123.43 160.12 27.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 84.8 m -123.08 114.82 20.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.165 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.0 mt -95.06 114.77 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -108.38 150.76 26.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.99 55.95 1.55 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.455 ' CD1' HD13 ' A' ' 34' ' ' ILE . 65.8 mt -123.92 174.06 7.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.894 0.378 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -80.77 154.11 27.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -82.83 144.97 29.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.46 ' CE1' ' HD3' ' A' ' 106' ' ' ARG . 53.5 t80 42.11 46.05 3.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 34.5 m -127.87 136.81 51.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.174 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -70.66 148.53 47.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.404 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 35.8 m-85 -149.0 130.52 14.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 t -83.05 155.59 23.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -150.93 142.25 23.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.453 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 4.4 ptp180 -151.17 161.02 43.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.1 t -130.73 133.0 63.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.173 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 94.0 t -123.37 135.7 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.93 126.22 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.539 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 39.3 m-85 -117.23 106.94 13.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.422 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 51.4 p-10 -118.71 177.62 4.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -45.88 -49.25 15.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -55.59 -65.22 0.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 166.85 -179.85 40.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.539 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.0 Cg_endo -69.75 109.7 2.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.652 2.235 . . . . 0.0 112.377 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -80.09 -164.06 29.16 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.454 ' CG2' ' HD3' ' A' ' 20' ' ' PRO . 24.9 m -46.37 168.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.827 0.346 . . . . 0.0 111.145 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.4 t -126.73 131.18 51.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.7 p -57.7 158.09 12.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.552 0.691 . . . . 0.0 111.138 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 131.22 20.77 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.62 146.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.422 HG13 ' CB ' ' A' ' 26' ' ' ALA . 77.4 t -126.33 78.84 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.37 126.14 28.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.3 p -137.26 146.37 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.46 ' HD3' ' CE1' ' A' ' 81' ' ' TYR . 37.3 ttm-85 -100.77 123.0 44.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.406 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 6.3 p -62.98 174.77 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 28.6 mt -75.04 150.99 38.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.912 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.466 ' HB3' ' CA ' ' A' ' 97' ' ' GLY . 39.2 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.633 0.73 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 165.88 29.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.46 169.29 25.98 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ALA . 53.3 Cg_endo -69.78 111.6 2.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.231 . . . . 0.0 112.326 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' PRO . . . -34.86 115.32 0.51 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 0.0 111.097 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 173.5 10.89 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.367 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.9 m120 47.31 49.62 15.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 tp -84.54 103.94 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -113.47 158.45 20.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.78 129.91 10.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -145.4 145.28 31.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 107' ' ' THR . . . -84.07 100.7 11.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.77 -46.09 83.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -130.03 162.35 54.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.691 0.758 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -3.76 12.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.745 2.296 . . . . 0.0 112.335 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.9 p -130.52 9.08 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -147.98 171.88 15.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.467 HD12 ' CG2' ' A' ' 107' ' ' THR . 80.8 mt -151.54 125.3 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.5 m -100.35 127.32 46.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.8 t -118.16 127.95 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.1 p -121.12 143.3 49.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 45.1 p90 -145.82 -178.65 6.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -122.29 166.26 14.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.418 HG23 ' N ' ' A' ' 41' ' ' PRO . 74.9 m -84.34 134.62 42.62 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.537 0.684 . . . . 0.0 111.189 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.418 ' N ' HG23 ' A' ' 40' ' ' THR . 53.6 Cg_endo -69.79 145.48 57.12 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.2 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.15 179.919 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.1 mm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.798 0.332 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -98.95 -57.7 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -144.14 172.45 12.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -122.29 118.84 29.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.439 ' HE2' ' CE1' ' A' ' 91' ' ' TYR . 5.0 tppt? -95.78 129.69 42.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.6 tp -114.87 123.69 49.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.936 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.442 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 2.3 m-85 -104.84 154.32 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -160.27 130.54 5.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -156.23 154.92 31.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -82.02 130.73 35.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.17 96.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.89 39.09 0.67 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.444 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.82 -27.77 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 111.167 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 63.96 26.4 14.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -147.74 110.75 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -106.11 151.04 25.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -117.22 169.96 9.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -130.84 128.79 41.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.1 m -120.16 136.43 57.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.52 120.92 17.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.3 t -127.67 127.72 68.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.6 m -116.51 49.92 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.4 p -163.07 167.08 22.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -79.12 -23.76 43.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 94.0 p -130.83 127.57 38.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -131.01 143.73 50.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 87.3 m -112.96 127.35 56.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.11 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.8 mt -107.33 111.47 35.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.02 155.42 17.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.78 47.88 2.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.8 mt -121.86 157.56 30.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.871 0.367 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -71.82 156.65 39.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.64 145.73 28.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.491 ' CD1' ' HB2' ' A' ' 109' ' ' SER . 4.0 t80 48.75 44.33 21.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.8 m -128.43 128.49 44.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -70.22 147.66 49.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -146.23 131.15 18.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 t -83.2 155.27 23.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -149.52 136.98 20.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.442 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 12.0 ptp180 -151.17 134.12 15.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.426 HG11 ' N ' ' A' ' 89' ' ' VAL . 88.8 t -104.99 135.44 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.426 ' N ' HG11 ' A' ' 88' ' ' VAL . 88.8 t -117.34 129.72 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.53 114.24 23.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.067 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 41.6 m-85 -99.2 108.01 20.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -107.8 158.97 16.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -39.6 -32.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -75.47 -63.4 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.46 172.77 45.56 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.553 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.1 Cg_endo -69.78 86.79 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.466 ' CA ' ' HB3' ' A' ' 17' ' ' LEU . . . -50.6 -179.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.3 m -41.86 163.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 111.118 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.9 t -123.98 136.68 54.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.1 p -51.81 153.31 4.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.708 . . . . 0.0 111.151 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 102' ' ' ASP . 53.7 Cg_endo -69.8 131.0 20.27 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 101' ' ' PRO . 4.5 p-10 -33.74 133.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.455 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 41.3 t -120.32 75.37 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.98 142.8 58.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.4 p -150.02 144.38 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.2 ttm-85 -95.97 131.25 42.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.467 ' CG2' HD12 ' A' ' 34' ' ' ILE . 15.8 p -80.26 165.24 22.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.8 mt -69.27 139.73 54.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.491 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 40.0 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.522 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 4.5 mm? . . . . . 0 C--O 1.232 0.159 0 CA-C-O 121.629 0.728 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.468 ' HD2' ' CD1' ' A' ' 17' ' ' LEU . 53.6 Cg_endo -69.75 170.75 15.84 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.734 2.289 . . . . 0.0 112.355 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.0 171.36 29.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.47 ' HD3' ' CG2' ' A' ' 98' ' ' VAL . 53.5 Cg_endo -69.79 123.92 10.56 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.661 2.24 . . . . 0.0 112.351 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.58 110.4 2.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.526 0.679 . . . . 0.0 111.08 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -178.51 2.34 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.648 2.232 . . . . 0.0 112.383 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.471 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 22.9 m120 44.38 47.26 8.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.5 tp -80.92 103.8 10.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.971 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -111.9 158.05 19.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.56 127.1 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CE2' ' HB ' ' A' ' 35' ' ' THR . 17.7 p90 -143.02 141.45 31.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.17 104.62 9.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.01 -29.35 62.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 m -151.46 159.29 33.63 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.663 0.744 . . . . 0.0 110.846 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 3.37 2.8 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.9 p -129.5 -8.3 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.42 ' C ' HG13 ' A' ' 34' ' ' ILE . 1.8 p -139.5 176.78 8.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.42 HG13 ' C ' ' A' ' 33' ' ' SER . 95.4 mt -151.0 122.54 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.501 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 99.1 m -91.58 125.56 36.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 39.8 t -122.3 133.46 68.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.4 p -126.23 130.29 50.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.54 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 41.2 p90 -131.43 166.64 20.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.471 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 47.1 mm-40 -116.03 165.12 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.409 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 87.2 m -85.81 136.59 36.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.537 0.684 . . . . 0.0 111.147 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.409 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.81 117.22 4.96 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.315 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.3 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.9 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.473 ' CD1' ' OD1' ' A' ' 92' ' ' ASN . 19.1 mm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.771 0.319 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -85.94 -55.25 4.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -146.49 163.43 35.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -112.67 136.36 52.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.427 ' HE2' ' CE1' ' A' ' 91' ' ' TYR . 1.3 tppt? -109.42 129.81 55.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.4 tp -124.72 106.24 9.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.425 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 3.1 m-85 -86.8 159.04 19.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -158.43 136.41 10.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -156.9 161.57 39.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -84.72 135.8 33.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -59.24 103.15 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.8 38.93 1.49 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.535 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -128.49 -39.34 1.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.763 0.316 . . . . 0.0 111.144 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.2 t0 72.48 28.46 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -149.99 108.56 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -110.14 161.35 15.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -116.61 -176.33 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.59 131.02 35.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.421 ' O ' ' CG2' ' A' ' 66' ' ' VAL . 15.6 m -124.46 116.8 48.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.68 118.65 12.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.434 HG22 ' CG ' ' A' ' 73' ' ' TYR . 86.1 t -121.54 146.61 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.8 p -100.21 -39.21 8.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.1 m -83.04 162.16 21.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.54 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 13.2 m80 -64.15 -37.81 88.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.6 t -109.45 152.38 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.434 ' CG ' HG22 ' A' ' 68' ' ' VAL . 64.8 t80 -151.09 156.33 40.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.4 m -119.08 122.49 42.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.6 mt -100.55 104.0 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.099 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.26 172.3 8.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.05 50.21 4.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.2 mt -125.22 176.54 6.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.92 0.39 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -83.08 161.45 21.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -87.85 137.67 32.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.555 ' CE1' ' HD3' ' A' ' 106' ' ' ARG . 6.7 t80 52.04 46.25 26.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.464 HG23 ' N ' ' A' ' 83' ' ' GLU . 28.2 m -126.91 143.57 51.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.174 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.464 ' N ' HG23 ' A' ' 82' ' ' THR . 17.0 tt0 -77.32 151.27 35.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -153.0 132.1 12.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 t -86.23 159.73 19.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -153.61 139.85 18.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.425 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 6.8 ptp180 -148.09 132.07 17.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 71.5 t -99.5 126.54 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.5 t -121.27 129.84 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.0 127.23 35.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 29.5 m-85 -112.58 106.91 15.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.473 ' OD1' ' CD1' ' A' ' 48' ' ' ILE . 10.2 m-20 -100.48 164.7 11.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -40.29 -29.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.455 ' N ' ' HG2' ' A' ' 93' ' ' LYS . 48.3 m-70 -75.53 -51.79 12.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.522 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 160.76 -166.2 35.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.45 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.5 Cg_endo -69.78 125.06 11.7 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.479 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -94.53 -162.53 35.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.47 ' CG2' ' HD3' ' A' ' 20' ' ' PRO . 30.4 m -41.98 165.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 0.0 111.113 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.1 t -123.99 119.25 29.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 p -56.79 157.26 10.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.514 0.673 . . . . 0.0 111.188 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 130.39 19.31 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.731 2.288 . . . . 0.0 112.346 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.22 145.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 76.5 t -130.7 79.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.09 138.62 47.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.6 p -150.49 147.03 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.555 ' HD3' ' CE1' ' A' ' 81' ' ' TYR . 34.1 ttm-85 -95.37 130.2 42.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.5 p -72.01 176.49 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 23.0 mt -83.55 156.63 22.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.954 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.537 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 4.4 mm? . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.617 0.723 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.489 ' HD2' ' CD1' ' A' ' 17' ' ' LEU . 53.9 Cg_endo -69.76 156.08 64.25 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.66 172.78 50.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.83 52.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.648 2.232 . . . . 0.0 112.392 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.93 115.92 41.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.582 0.706 . . . . 0.0 111.08 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -176.16 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.636 2.224 . . . . 0.0 112.329 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.415 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 23.9 m120 39.33 50.27 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.9 tp -85.7 101.22 12.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -109.92 163.36 13.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.433 ' HB2' ' CG1' ' A' ' 103' ' ' VAL . . . -158.82 129.6 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -150.18 142.24 23.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.55 112.19 19.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.39 -27.32 38.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.059 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 m -141.66 157.3 65.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.699 0.762 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -1.28 8.22 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.364 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.5 p -129.1 -6.45 4.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.162 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -138.79 172.14 13.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.461 HD11 ' CD1' ' A' ' 78' ' ' LEU . 97.1 mt -146.98 142.64 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.4 ' N ' HG23 ' A' ' 34' ' ' ILE . 79.0 m -111.21 126.0 54.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.2 t -120.04 134.28 64.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.8 p -130.5 139.65 50.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 30.4 p90 -141.99 179.57 6.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.415 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 4.7 mm-40 -126.03 165.21 19.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.0 m -85.43 134.06 41.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 118.51 5.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 2.229 . . . . 0.0 112.33 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.8 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.9 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.9 mm . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.78 0.324 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -86.93 -65.75 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.94 161.89 34.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -115.38 122.99 47.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.43 141.99 28.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.845 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.6 tp -134.64 130.99 37.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.447 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 4.4 m-85 -111.41 162.81 14.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -160.56 131.98 5.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -151.94 162.1 41.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -90.59 130.87 36.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -54.94 98.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.17 32.92 1.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.506 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -123.55 -26.83 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 60.43 31.03 20.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -157.89 112.5 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -108.19 158.06 17.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.447 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 21.2 mm100 -109.89 -177.91 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.94 132.48 32.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.1 m -129.23 140.44 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -73.35 132.63 43.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 85.2 t -138.83 129.23 33.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.2 m -121.89 44.25 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.821 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.5 p -163.98 165.28 22.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -83.44 9.61 10.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 94.8 p -147.69 132.06 17.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -141.54 156.08 45.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 34.7 m -131.66 121.21 23.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 77.0 mt -100.09 120.72 49.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -111.95 159.47 18.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.63 51.12 2.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.461 ' CD1' HD11 ' A' ' 34' ' ' ILE . 54.0 mt -121.78 173.79 7.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.863 0.364 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -83.66 165.79 18.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -90.16 142.78 27.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.7 t80 48.24 49.28 17.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.2 m -131.35 145.65 51.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -81.91 152.88 26.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -151.67 129.59 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 t -84.61 154.51 22.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -147.22 138.47 23.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -148.57 139.67 23.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.0 t -108.23 141.74 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.4 t -133.31 131.28 57.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.09 130.37 34.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 34.9 m-85 -118.65 120.45 37.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -127.25 168.26 14.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.432 ' HE3' ' CE1' ' A' ' 94' ' ' HIS . 29.3 pttt -39.7 -44.53 1.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.432 ' CE1' ' HE3' ' A' ' 93' ' ' LYS . 12.2 m-70 -61.78 -60.53 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 164.9 -175.81 40.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.449 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.4 Cg_endo -69.73 129.25 17.3 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.386 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.487 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -90.03 -150.85 24.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 20.0 m -60.54 -179.8 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.4 t -135.91 115.19 12.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -47.67 160.37 0.39 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.641 0.734 . . . . 0.0 111.086 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 134.06 27.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -44.08 133.71 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.433 ' CG1' ' HB2' ' A' ' 26' ' ' ALA . 73.8 t -117.37 83.53 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -78.02 137.72 38.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.111 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.3 p -149.9 145.59 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.5 ttm-85 -95.26 133.07 39.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.7 p -76.98 171.23 15.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.1 mt -74.2 153.52 39.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.8 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.935 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.5 m -96.58 96.09 8.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 0.0 110.793 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -93.15 146.19 23.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 168.25 -40.55 0.23 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.427 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 4' ' ' GLY . 3.7 t -35.14 109.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 p -120.43 173.95 6.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.68 139.82 13.81 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.542 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -89.17 75.86 7.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.909 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.4 m -129.56 119.83 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -84.06 37.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.5 p -144.21 179.64 7.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.127 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -135.25 144.65 50.74 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.549 0.69 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -163.94 0.12 Allowed 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.655 2.237 . . . . 0.0 112.348 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -52.28 -176.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.0 t -119.42 -8.94 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -128.76 76.19 1.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.96 159.84 49.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.719 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.454 ' CB ' ' HB1' ' A' ' 90' ' ' ALA . 53.9 Cg_endo -69.72 161.66 45.07 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.716 2.278 . . . . 0.0 112.331 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.91 176.68 27.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.507 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.463 ' HD3' ' CG2' ' A' ' 98' ' ' VAL . 53.4 Cg_endo -69.76 130.89 20.12 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.11 113.39 14.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.546 0.689 . . . . 0.0 111.108 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -177.37 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.4 m120 42.73 51.25 5.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.6 tp -89.8 102.79 15.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.1 mmm-85 -116.3 156.91 25.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.91 127.2 9.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.449 ' CZ ' HG23 ' A' ' 35' ' ' THR . 28.4 p90 -141.73 140.84 33.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.68 101.22 6.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.81 -21.36 62.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -156.94 160.8 30.47 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.666 0.746 . . . . 0.0 110.843 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -3.82 12.8 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.636 2.224 . . . . 0.0 112.356 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.6 p -130.9 1.55 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.79 169.05 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.9 mt -150.2 134.37 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.146 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.449 HG23 ' CZ ' ' A' ' 27' ' ' TYR . 45.9 m -104.98 130.56 53.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.6 t -123.61 127.7 74.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.2 p -123.25 131.41 53.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 44.5 p90 -138.96 167.77 21.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -117.43 165.34 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.455 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 90.1 m -85.56 138.79 35.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.613 0.72 . . . . 0.0 111.152 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.455 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 53.9 Cg_endo -69.75 132.13 22.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.4 m -64.78 -19.39 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 t -105.85 134.62 48.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.35 157.95 8.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -93.57 124.75 37.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.838 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.11 -125.73 34.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.435 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -133.88 152.41 51.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.853 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.5 mm -77.05 119.18 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -54.89 -57.95 9.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -149.94 151.22 33.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -96.66 121.95 39.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -92.47 116.05 28.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.5 tp -106.88 108.59 20.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.432 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 2.2 m-85 -86.06 154.86 21.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -159.52 133.13 7.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -155.76 161.55 40.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -91.0 134.14 34.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -55.46 100.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.59 37.1 1.34 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.448 ' O ' ' CG ' ' A' ' 61' ' ' ASP . 0.6 OUTLIER -126.41 -26.38 3.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.325 . . . . 0.0 111.14 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 60' ' ' THR . 1.2 p30 53.28 25.28 4.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -131.86 70.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -61.62 152.75 29.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -124.78 -174.84 3.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -152.83 135.81 15.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.3 m -128.45 137.46 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -71.7 124.43 24.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.4 t -143.78 136.99 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.2 p -125.45 39.07 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.7 p -143.08 169.88 16.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -95.88 24.27 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.1 p -169.59 120.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -135.44 145.34 47.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.4 m -115.43 125.41 53.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.134 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.7 mt -103.5 106.87 20.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.171 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -94.6 -179.98 5.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.27 51.98 19.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.8 mt -126.88 164.6 21.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.892 0.377 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -74.16 168.91 18.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.06 129.07 46.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.451 ' CD1' ' HB2' ' A' ' 109' ' ' SER . 22.9 t80 70.63 25.11 4.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.9 m -108.7 144.72 36.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.182 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -83.64 151.11 25.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -150.72 127.51 10.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 t -82.76 151.01 26.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -145.28 139.36 27.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.432 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 9.8 ptp180 -150.57 138.12 19.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 89' ' ' VAL . 98.8 t -102.51 142.93 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.439 ' N ' HG12 ' A' ' 88' ' ' VAL . 93.8 t -138.26 135.61 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.454 ' HB1' ' CB ' ' A' ' 18' ' ' PRO . . . -90.8 123.83 34.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.477 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 28.7 m-85 -114.1 112.86 23.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -125.26 171.61 10.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 94' ' ' HIS . 7.0 pttm -43.91 -43.03 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.456 ' N ' ' HG3' ' A' ' 93' ' ' LYS . 98.0 m-70 -60.53 -69.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 169.5 172.81 36.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.425 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.477 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.8 Cg_endo -69.76 105.42 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.372 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -75.15 -167.01 19.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.463 ' CG2' ' HD3' ' A' ' 20' ' ' PRO . 18.8 m -41.04 160.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.342 . . . . 0.0 111.187 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.8 t -121.72 133.97 54.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.85 160.45 15.31 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.586 0.708 . . . . 0.0 111.142 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 138.08 37.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.651 2.234 . . . . 0.0 112.385 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -49.42 138.91 12.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.3 t -122.01 87.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.98 135.96 35.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.5 p -148.38 138.28 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.6 ttm-85 -90.72 137.59 32.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.9 p -78.79 166.44 22.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 51.0 mt -68.43 146.68 52.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.451 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 15.2 t -97.41 122.12 40.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.11 -32.02 69.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.0 t -44.37 -54.47 5.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 174.4 172.54 39.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 114' ' ' SER . 54.3 Cg_endo -69.8 2.84 3.19 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.677 2.251 . . . . 0.0 112.35 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 113' ' ' PRO . 59.6 m -34.62 107.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.5 t -59.69 138.42 57.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -72.86 146.08 46.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.88 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.4 m -65.06 108.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.78 -157.94 2.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t -167.99 157.47 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 110.879 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -75.41 152.62 37.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.7 -125.6 3.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.413 ' NH1' ' HB2' ' A' ' 8' ' ' ARG . 10.4 ttm105 -154.65 161.11 41.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.844 0.354 . . . . 0.0 110.846 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.7 m -113.92 133.82 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.3 -178.12 4.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.9 p -109.06 162.71 13.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -174.26 146.08 1.09 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.641 0.734 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 174.26 9.81 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -94.56 131.61 40.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.3 t -141.75 167.17 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -81.02 46.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.469 HD11 ' N ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -79.0 161.43 68.5 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.591 0.71 . . . . 0.0 110.948 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.461 ' CG ' ' HB1' ' A' ' 90' ' ' ALA . 53.7 Cg_endo -69.79 172.21 13.07 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.679 2.253 . . . . 0.0 112.316 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.79 175.22 24.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.432 ' HD3' ' CG2' ' A' ' 98' ' ' VAL . 54.1 Cg_endo -69.76 130.58 19.59 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.266 . . . . 0.0 112.338 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.59 115.28 8.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.517 0.675 . . . . 0.0 111.073 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -178.32 2.29 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 40.95 49.23 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 103' ' ' VAL . 26.8 tp -76.26 102.02 5.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.77 133.19 45.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.59 133.61 43.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -132.38 137.29 47.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.72 109.45 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.82 -27.93 63.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -150.99 161.64 29.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.683 0.754 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 0.53 5.5 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.319 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.0 p -129.69 -2.58 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.3 p -141.43 174.57 10.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.2 mt -151.33 132.17 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.3 m -104.82 98.59 8.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.7 t -88.11 137.67 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.1 p -126.38 156.44 40.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 48.2 p90 -163.06 158.13 21.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -109.14 165.07 11.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.6 m -85.94 133.5 41.15 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.592 0.711 . . . . 0.0 111.13 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 109.86 2.41 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.235 . . . . 0.0 112.387 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.8 m -47.42 -41.58 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.8 m -70.83 173.21 7.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.28 -166.51 12.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -138.34 128.6 25.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.36 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.17 -149.37 39.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -119.59 148.3 43.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.869 0.366 . . . . 0.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.0 mm -72.55 135.32 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -80.69 -46.46 15.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -159.19 165.77 32.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -116.2 117.49 30.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -91.38 118.1 30.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.839 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.6 tp -108.09 122.81 47.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 1.9 m-85 -103.79 156.28 17.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -158.61 133.55 8.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -152.43 160.62 43.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.826 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -89.84 133.53 34.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -57.25 98.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 116.7 39.26 0.85 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.478 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.51 -29.21 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 111.14 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.0 t0 65.43 31.82 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -151.0 115.29 5.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -97.22 152.11 19.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.596 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 68.2 mt-30 -116.1 -179.49 3.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -150.06 138.04 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.0 m -133.8 148.8 30.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -84.66 123.55 30.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.4 t -130.09 129.68 65.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.8 m -97.02 -23.26 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -101.94 165.76 11.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -82.69 12.75 4.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.1 p -150.64 118.04 6.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -123.91 157.84 33.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.9 m -127.2 121.72 32.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 80.8 mt -99.33 122.39 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -108.39 158.21 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.47 51.05 2.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.0 mt -126.89 167.55 15.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -83.22 160.33 21.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -83.04 136.23 34.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.6 t80 58.69 43.36 18.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.431 HG21 ' CZ ' ' A' ' 84' ' ' TYR . 96.2 m -122.57 136.91 55.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -77.14 149.29 35.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.431 ' CZ ' HG21 ' A' ' 82' ' ' THR . 90.5 m-85 -148.76 127.45 12.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -83.0 138.67 33.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -135.64 138.16 42.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -146.31 131.65 18.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 25.6 t -96.67 142.12 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 84.8 t -133.24 131.3 58.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.461 ' HB1' ' CG ' ' A' ' 18' ' ' PRO . . . -87.45 131.79 34.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 19.6 m-85 -122.04 117.66 26.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.2 p-10 -134.88 167.4 20.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -39.58 -39.92 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -60.83 -67.43 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 166.23 172.85 34.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.558 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.3 Cg_endo -69.75 97.69 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.02 -169.33 2.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.432 ' CG2' ' HD3' ' A' ' 20' ' ' PRO . 10.9 m -47.11 175.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.4 t -127.38 135.86 51.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.55 157.94 12.56 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.569 0.699 . . . . 0.0 111.133 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 132.86 24.31 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.357 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -38.8 133.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.463 HG23 ' CD2' ' A' ' 24' ' ' LEU . 57.7 t -118.87 83.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -78.34 124.75 28.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.9 p -134.15 144.31 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.406 ' HB2' ' NH1' ' A' ' 106' ' ' ARG . 13.4 ttm105 -93.11 130.79 38.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.3 p -75.36 174.0 10.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 45.2 mt -78.6 150.97 32.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t -98.19 118.89 35.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.831 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -86.8 -59.79 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 t -80.51 132.34 35.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -91.06 143.37 16.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 151.18 68.73 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.63 2.22 . . . . 0.0 112.318 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 52.5 p -116.95 161.89 18.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.7 t -157.86 140.46 14.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 p -132.3 -43.67 0.94 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.892 0.377 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.4 p -50.39 -48.79 55.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.894 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.87 -171.04 14.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.528 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 m -137.34 129.46 29.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.3 m -71.31 162.56 29.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.21 125.47 0.79 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -131.78 108.98 9.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.5 t -116.3 127.07 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -141.76 158.05 44.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 12' ' ' GLN . 61.5 m -151.98 144.6 24.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.4 ' N ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -83.12 132.05 51.72 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.548 0.689 . . . . 0.0 110.918 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -166.31 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.639 2.226 . . . . 0.0 112.347 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -118.83 173.16 7.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.5 m -75.86 160.78 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.403 ' C ' HD13 ' A' ' 17' ' ' LEU . 19.4 tt0 74.33 42.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.403 HD13 ' C ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -118.05 158.91 44.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HD3' ' ND2' ' A' ' 92' ' ' ASN . 53.8 Cg_endo -69.69 -172.61 0.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.72 2.28 . . . . 0.0 112.382 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -124.22 175.98 16.94 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.462 ' HD3' ' CG2' ' A' ' 98' ' ' VAL . 53.8 Cg_endo -69.8 121.88 8.56 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.09 118.5 15.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 0.0 111.058 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -175.16 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.695 2.264 . . . . 0.0 112.303 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.453 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 28.7 m120 39.4 49.98 1.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.4 tp -83.37 101.29 11.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.76 148.23 36.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.35 127.05 12.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.482 ' CZ ' HG23 ' A' ' 35' ' ' THR . 5.3 p90 -143.65 151.86 40.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.28 105.83 16.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.119 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.96 -9.11 58.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.077 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -169.9 161.13 6.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.673 0.749 . . . . 0.0 110.859 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -2.37 10.06 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.0 p -130.36 -4.05 4.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.1 p -135.62 170.59 15.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.1 mt -154.07 119.93 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.482 HG23 ' CZ ' ' A' ' 27' ' ' TYR . 52.5 m -90.44 135.89 33.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.8 t -130.75 121.49 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.3 p -119.23 137.59 53.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.483 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 49.7 p90 -141.6 172.14 13.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.453 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 65.3 mm-40 -119.01 165.01 14.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.4 m -85.88 131.61 46.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.566 0.698 . . . . 0.0 111.174 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 115.47 4.11 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.674 2.249 . . . . 0.0 112.379 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.3 m -58.2 -16.04 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.1 t -98.67 136.53 38.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.87 168.78 16.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -109.21 126.39 53.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.62 -137.34 18.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -135.2 138.68 43.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.0 mm -55.77 144.23 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -102.08 -46.08 4.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -155.01 154.02 31.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -107.03 121.16 43.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.1 tptt -90.8 110.54 21.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.7 tp -104.08 120.83 41.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.532 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 6.0 m-85 -100.41 157.13 16.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -162.06 134.48 5.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -156.61 162.35 39.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 58' ' ' LYS . 26.0 tt0 -91.65 100.63 13.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 57' ' ' GLU . 14.3 tptt -33.68 101.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 128.12 -0.09 6.52 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.72 -27.87 11.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.811 0.339 . . . . 0.0 111.194 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.13 25.08 15.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -121.04 71.61 0.95 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -61.87 145.67 52.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.532 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 45.5 mt-30 -126.44 179.47 5.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 p30 -147.62 139.78 24.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.4 m -133.94 131.07 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.49 121.45 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.441 HG11 ' N ' ' A' ' 69' ' ' SER . 72.2 t -119.47 155.37 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.441 ' N ' HG11 ' A' ' 68' ' ' VAL . 47.5 t -116.3 -35.81 4.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -89.3 165.35 14.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.483 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 20.0 m80 -69.32 -24.2 63.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.9 p -124.88 141.0 52.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -138.03 142.7 40.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.7 m -112.35 125.39 54.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 69.0 mt -99.53 134.33 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.65 158.42 24.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.09 56.83 1.99 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.0 mt -128.86 161.88 28.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.871 0.367 . . . . 0.0 110.918 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -73.8 174.5 8.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -104.88 137.77 42.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.561 ' CD1' ' HB2' ' A' ' 109' ' ' SER . 5.2 t80 59.38 44.3 15.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.7 m -130.4 142.63 50.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.129 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -75.53 151.87 37.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -148.45 126.26 11.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 t -86.38 146.29 26.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -143.36 137.41 28.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.41 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 25.9 ptt180 -148.72 133.3 17.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.405 ' C ' HG21 ' A' ' 89' ' ' VAL . 80.0 t -103.06 145.03 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.405 HG21 ' C ' ' A' ' 88' ' ' VAL . 41.3 t -136.88 137.12 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.31 132.84 33.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.53 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 16.4 m-85 -122.79 114.24 20.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 94' ' ' HIS . 43.8 p-10 -126.01 155.1 41.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 92' ' ' ASN . 24.2 pttt -35.33 -34.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 92' ' ' ASN . 13.3 m-70 -66.75 -56.61 9.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 158.14 166.04 16.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.53 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.4 Cg_endo -69.81 115.35 4.06 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.301 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -74.68 -140.35 0.66 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.462 ' CG2' ' HD3' ' A' ' 20' ' ' PRO . 18.0 m -69.68 -177.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 111.178 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.4 t -135.45 124.94 24.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.1 p -50.54 156.07 1.65 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.089 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 131.16 20.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.363 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -39.08 130.57 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.1 t -116.44 85.17 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.88 132.43 40.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.87 138.81 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -92.82 131.92 37.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.5 p -75.83 172.57 12.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.6 mt -77.57 146.01 36.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.561 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 4.3 t -92.94 126.45 38.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -81.45 121.48 26.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 77.9 p -86.54 -43.48 12.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 130.55 -87.94 0.3 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 176.63 6.53 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 t -157.5 114.99 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.3 m -151.9 144.14 23.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -154.27 175.33 13.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 0.0 110.905 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 t -154.91 169.77 23.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.91 156.14 8.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -106.68 129.47 54.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t -143.2 135.32 27.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.44 158.51 1.24 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -55.93 138.62 48.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.7 t -100.21 132.97 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -138.68 153.14 48.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 92.4 m -129.02 117.22 20.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -40.9 146.48 0.47 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.556 0.693 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 175.55 7.97 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.673 2.249 . . . . 0.0 112.307 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -136.16 170.06 16.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.3 m -104.1 174.7 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 60.02 37.99 20.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mp -79.15 160.69 70.38 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.647 0.737 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.458 ' HB3' ' CD1' ' A' ' 48' ' ' ILE . 53.8 Cg_endo -69.76 -176.27 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.71 177.94 16.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 128.71 16.46 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.387 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.34 110.22 2.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.733 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -178.39 2.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.5 m120 43.41 43.95 4.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.466 ' CD2' HG23 ' A' ' 103' ' ' VAL . 27.7 tp -77.12 105.67 8.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -133.78 130.25 37.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.89 140.77 52.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -143.39 137.07 28.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.01 105.9 11.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.088 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.28 -27.08 64.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 m -147.69 160.18 39.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.658 0.742 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -5.05 15.28 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.659 2.239 . . . . 0.0 112.378 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.3 p -124.34 -6.91 7.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.8 m -143.57 153.99 43.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.2 mt -130.4 151.38 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.6 m -117.73 99.34 6.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -89.86 131.32 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.62 155.85 40.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 48.6 p90 -162.85 165.2 25.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -113.49 165.13 12.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.5 m -85.89 132.67 43.28 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.579 0.704 . . . . 0.0 111.146 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 120.17 7.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.1 m -77.97 -23.71 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.3 t -63.2 -43.21 98.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.35 164.6 1.52 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.2 OUTLIER -85.54 158.98 20.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.366 . . . . 0.0 110.902 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . 35.7 -132.4 0.7 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.441 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -126.29 143.55 51.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 18' ' ' PRO . 26.1 mm -67.24 137.52 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -73.34 -59.67 2.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -136.82 170.24 16.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -126.19 132.78 51.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.454 ' HD2' ' CE1' ' A' ' 91' ' ' TYR . 15.8 tttt -108.96 127.04 53.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.7 tp -118.62 134.58 55.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.957 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.498 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 19.2 m-85 -111.23 161.45 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.407 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 26.5 p90 -159.43 126.69 4.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -150.45 160.68 43.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -87.87 133.31 33.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -55.65 99.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.66 30.08 1.92 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.496 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.14 -31.23 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 111.107 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 63.23 25.31 14.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -149.99 105.02 3.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -104.65 157.53 17.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.498 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 47.8 mt-30 -112.27 -177.46 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.35 130.02 27.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 31.0 m -121.5 126.98 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -71.93 119.36 16.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.1 t -126.03 151.85 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.7 p -111.28 -36.42 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.6 m -82.21 173.44 12.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -85.18 -26.35 26.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.6 p -118.12 117.4 29.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -111.31 155.83 22.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 89.6 m -123.54 109.43 13.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.2 mt -89.61 127.47 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -117.46 150.66 38.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.58 52.51 1.42 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.5 mt -126.87 161.11 29.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -73.05 172.99 10.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -98.47 137.56 36.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.937 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.2 t80 58.54 36.56 25.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.969 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.1 m -118.04 137.91 52.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.117 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -82.42 150.58 27.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -149.07 132.68 16.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.9 t -83.17 138.21 33.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.835 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -134.14 137.17 44.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -145.13 143.73 30.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 71.4 t -111.34 133.68 56.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 88.9 t -121.8 140.8 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.425 ' HB1' ' CG ' ' A' ' 18' ' ' PRO . . . -96.82 138.24 34.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.54 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 27.3 m-85 -129.57 122.05 28.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.401 HD22 ' CD1' ' A' ' 48' ' ' ILE . 27.1 m-20 -130.45 171.95 12.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.54 -41.59 41.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -62.38 -60.01 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 165.52 170.67 30.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.54 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.6 Cg_endo -69.73 113.44 3.37 Favored 'Trans proline' 0 C--O 1.231 0.125 0 C-N-CA 122.71 2.273 . . . . 0.0 112.36 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -72.54 -139.87 0.33 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.6 m -79.04 179.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 111.123 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.2 t -128.7 136.35 50.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.2 p -60.98 158.71 32.3 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.622 0.725 . . . . 0.0 111.131 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 131.06 20.43 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -38.94 132.37 1.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.466 HG23 ' CD2' ' A' ' 24' ' ' LEU . 71.7 t -118.01 79.75 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.59 135.83 47.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.5 p -144.02 146.13 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -102.37 127.04 49.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.8 p -69.49 178.48 2.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.178 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 25.1 mt -78.6 155.17 29.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.4 t -106.22 127.97 53.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -77.79 82.98 4.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.6 m -100.53 168.1 9.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.63 144.78 7.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -8.6 24.01 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.7 m -149.94 152.47 35.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -40.69 152.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 t -158.63 138.67 12.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 110.863 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.5 t -139.44 107.78 5.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.81 -175.71 25.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.7 m -105.08 149.45 25.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 t -87.85 138.64 31.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.21 98.56 0.19 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -139.52 155.24 47.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.0 m -98.52 170.19 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -114.25 102.12 9.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.6 m -96.97 100.42 11.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -51.99 136.05 37.85 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.579 0.704 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -174.94 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.681 2.254 . . . . 0.0 112.33 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.439 ' HG3' ' NE2' ' A' ' 16' ' ' GLN . 7.4 mm-40 -125.19 -178.46 4.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.0 p -117.98 -18.44 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.439 ' NE2' ' HG3' ' A' ' 14' ' ' GLU . 7.9 pm0 -93.0 33.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mp -102.45 161.14 24.19 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.613 0.721 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.465 ' CG ' ' HB2' ' A' ' 90' ' ' ALA . 53.8 Cg_endo -69.77 173.86 10.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.246 . . . . 0.0 112.328 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -107.88 172.11 16.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 122.89 9.56 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.77 107.04 0.72 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 111.047 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -176.02 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.734 2.289 . . . . 0.0 112.346 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.451 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 26.3 m120 39.35 44.5 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.45 ' CD1' ' HB3' ' A' ' 38' ' ' TRP . 19.7 tp -77.28 103.8 7.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -132.35 138.17 47.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.36 133.58 44.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -132.52 132.57 42.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.76 113.98 13.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.71 -27.82 36.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.5 m -146.31 160.61 41.83 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.644 0.735 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -8.6 24.02 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.733 2.289 . . . . 0.0 112.331 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.0 p -125.51 0.94 7.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 m -147.27 149.1 32.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.416 HD13 ' CD1' ' A' ' 78' ' ' LEU . 81.9 mt -130.22 147.56 33.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.3 m -116.53 96.8 5.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.0 t -84.13 137.9 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 p -128.0 155.72 43.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.45 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 48.9 p90 -162.04 160.8 27.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.451 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 20.5 mm-40 -107.72 165.12 11.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.4 m -85.98 133.05 41.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.63 0.729 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 123.53 10.2 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.713 2.275 . . . . 0.0 112.382 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.4 m -74.18 -13.47 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.8 m -97.63 105.02 17.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.21 158.98 21.61 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -114.71 -39.48 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.45 158.25 26.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.451 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.443 ' C ' ' OD1' ' A' ' 92' ' ' ASN . 13.5 tm-20 -85.49 124.87 32.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.782 0.325 . . . . 0.0 110.924 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.0 mm -53.88 105.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -60.42 -38.56 84.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -164.82 153.56 12.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -99.3 118.21 35.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.49 129.29 37.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.937 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.5 tp -122.7 119.39 30.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.465 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 1.9 m-85 -100.46 157.86 16.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -161.04 128.67 4.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -149.2 161.82 41.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -90.27 129.09 36.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -53.44 100.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.24 34.6 1.44 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 m -121.64 -28.15 4.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.348 . . . . 0.0 111.188 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 64.01 29.08 14.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -147.18 106.66 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -88.94 146.16 25.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.465 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 68.3 mt-30 -113.67 179.2 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.954 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -149.13 133.26 17.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.5 m -131.56 136.79 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -70.48 127.33 32.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.1 t -131.24 126.66 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 m -105.47 53.49 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -173.74 179.19 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -90.76 -24.07 20.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.7 p -128.38 118.44 23.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -117.28 163.75 15.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.9 m -129.13 117.78 21.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 97.7 mt -99.36 122.33 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -111.11 158.68 18.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.64 48.42 2.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.444 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.416 ' CD1' HD13 ' A' ' 34' ' ' ILE . 47.2 mt -124.43 170.11 11.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.909 0.385 . . . . 0.0 110.888 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -82.43 175.43 10.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.9 142.4 34.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.406 ' CD1' ' HB3' ' A' ' 109' ' ' SER . 3.3 t80 58.91 28.29 17.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.411 HG21 ' N ' ' A' ' 83' ' ' GLU . 60.6 m -113.43 137.5 51.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.101 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.411 ' N ' HG21 ' A' ' 82' ' ' THR . 15.2 tt0 -80.02 149.29 30.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -145.13 133.74 22.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 t -90.11 138.5 31.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -134.28 135.87 43.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -143.53 137.75 28.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.1 t -111.0 128.6 67.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 85.0 t -121.6 133.12 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.465 ' HB2' ' CG ' ' A' ' 18' ' ' PRO . . . -87.29 136.82 32.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' A' ' 96' ' ' PRO . 53.1 m-85 -123.77 108.63 12.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.443 ' OD1' ' C ' ' A' ' 47' ' ' GLU . 34.1 m-20 -103.68 158.37 16.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -42.78 -29.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -76.49 -63.56 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 178.12 171.86 41.93 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.518 ' HB3' ' CE1' ' A' ' 91' ' ' TYR . 53.9 Cg_endo -69.73 113.67 3.45 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -65.52 -115.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.5 m -98.59 -175.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.168 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.8 t -132.84 123.11 25.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.2 156.2 7.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.592 0.711 . . . . 0.0 111.089 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 134.1 27.17 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.367 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -42.61 131.72 3.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.5 t -115.62 82.56 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.11 122.15 23.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.0 p -131.47 145.09 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.5 ttm-85 -102.1 131.75 48.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 10.6 p -72.7 179.98 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.79 156.82 27.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.406 ' HB3' ' CD1' ' A' ' 81' ' ' TYR . 60.5 p -101.08 119.33 38.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -66.48 158.08 30.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.1 m -120.56 -54.52 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 175.44 -173.97 46.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.527 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 114' ' ' SER . 53.7 Cg_endo -69.77 -25.55 28.42 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 113' ' ' PRO . 48.7 m -35.37 -61.91 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.3 p -60.93 131.9 52.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.438 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 m -152.65 167.68 28.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.379 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -153.38 173.68 15.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.18 147.27 20.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -150.81 147.05 26.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 p -109.47 157.51 18.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.815 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.66 -120.71 2.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -126.53 137.54 53.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 10' ' ' GLU . 74.7 t -88.75 138.73 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.153 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.465 ' N ' HG13 ' A' ' 9' ' ' VAL . 26.1 mm-40 -74.44 119.41 18.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.4 t -111.59 136.16 51.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -121.57 145.02 41.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -178.45 2.35 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.323 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -140.46 127.51 20.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.419 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 10.4 p -131.05 130.18 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.077 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 54.43 50.89 15.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.537 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 4.4 mm? -106.3 161.01 24.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.565 0.697 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.471 ' HD2' ' CD1' ' A' ' 17' ' ' LEU . 53.1 Cg_endo -69.81 168.79 20.61 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.293 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.86 171.35 34.33 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 141.57 45.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.648 2.232 . . . . 0.0 112.3 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.54 111.74 8.3 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.577 0.703 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 23' ' ' ASN . 53.5 Cg_endo -69.81 -177.17 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 22' ' ' PRO . 1.0 OUTLIER 35.31 52.54 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.5 tp -84.51 105.18 15.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -116.61 158.72 23.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -159.0 127.03 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -140.4 149.84 43.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.944 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' ' 107' ' ' THR . . . -84.83 108.45 17.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.123 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.61 -24.67 56.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 m -154.39 160.03 31.34 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.67 0.748 . . . . 0.0 110.839 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 1.51 4.34 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.739 2.293 . . . . 0.0 112.354 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.9 p -131.36 1.28 4.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 p -145.34 172.67 12.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.5 mt -151.88 127.72 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.4 m -98.34 133.0 43.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.17 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 t -127.39 128.2 69.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.3 p -124.39 131.42 53.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.461 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 48.2 p90 -134.45 168.59 18.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -114.43 164.79 13.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 55.1 m -86.29 134.85 37.59 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.575 0.702 . . . . 0.0 111.127 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 111.72 2.88 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.709 2.272 . . . . 0.0 112.345 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.7 m -46.79 -46.09 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.099 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 t -75.98 172.68 12.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.08 157.95 7.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.522 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -98.22 83.76 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.351 . . . . 0.0 110.9 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.49 -148.08 17.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -106.08 169.77 8.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.3 mm -98.77 143.33 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -88.95 -56.73 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -148.58 166.76 27.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -114.14 125.73 54.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.418 ' CG ' ' CE1' ' A' ' 54' ' ' TYR . 1.9 tppp? -99.91 131.49 45.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.8 tp -126.92 116.84 21.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.435 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 2.8 m-85 -99.16 157.6 16.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -155.57 137.49 14.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -155.67 161.48 40.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -86.93 129.86 34.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -53.72 91.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.88 40.06 0.5 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.87 -35.04 2.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 111.146 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.6 t70 71.86 25.28 3.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.34 116.31 4.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -110.56 158.91 18.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -114.05 -177.48 3.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.34 129.77 27.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.8 m -121.59 125.4 73.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.49 118.09 14.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 69' ' ' SER . 88.4 t -122.99 156.14 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.433 ' N ' HG13 ' A' ' 68' ' ' VAL . 87.6 p -113.53 -37.21 4.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.6 m -88.54 161.33 17.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.461 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 72.0 m80 -68.05 -33.25 74.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 97.2 p -112.0 126.84 55.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -125.2 162.93 23.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.971 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 62.6 m -125.98 120.12 29.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.1 mt -102.36 111.2 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -104.29 156.37 17.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.25 44.97 2.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.52 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.1 mt -120.77 170.22 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.896 0.379 . . . . 0.0 110.92 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.5 mtmm -80.96 168.44 18.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -92.12 147.27 23.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.3 t80 43.46 52.45 5.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.037 0.446 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.1 m -133.52 133.0 41.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.164 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -69.23 151.56 46.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -152.24 128.41 10.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -83.15 152.16 25.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -146.36 136.04 23.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.435 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 28.6 ptt180 -147.17 133.6 19.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.0 t -107.17 143.65 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.0 t -132.6 137.6 53.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.57 125.39 35.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 24.3 m-85 -112.91 120.84 42.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -121.34 167.41 12.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -44.12 -33.41 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -73.15 -57.76 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 169.56 -177.45 43.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.557 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.8 Cg_endo -69.76 128.64 16.32 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.369 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.478 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -86.73 -154.28 25.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.443 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.5 m -55.57 -175.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.7 t -143.43 106.94 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.2 p -40.88 154.66 0.21 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.565 0.697 . . . . 0.0 111.165 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 102' ' ' ASP . 53.1 Cg_endo -69.8 130.51 19.41 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 101' ' ' PRO . 1.2 m-20 -34.63 138.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.5 t -125.06 77.98 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.4 136.25 54.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.1 p -144.48 137.82 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.163 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -92.28 129.92 38.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.463 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 13.5 p -74.1 -177.2 2.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.3 mt -89.06 164.36 15.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 t -109.39 118.86 37.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -92.92 87.93 5.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.0 p -91.73 42.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.63 178.77 18.9 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -22.75 31.7 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 90.5 p -132.22 166.11 22.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.5 t -156.32 139.48 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -152.87 175.41 12.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.955 0.407 . . . . 0.0 110.824 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -112.52 158.05 20.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.53 93.06 0.47 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.0 p -46.7 102.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.2 m -59.61 -56.47 21.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.78 133.18 1.59 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.8 mtm-85 -80.33 94.53 6.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.2 m -82.06 125.66 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -94.58 89.71 5.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 t -140.47 146.61 38.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -114.72 155.57 46.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 166.43 27.68 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.691 2.26 . . . . 0.0 112.328 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -64.67 169.93 4.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.7 t -88.11 -33.58 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.451 ' NE2' ' CD1' ' A' ' 17' ' ' LEU . 4.5 pp0? -81.9 40.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.451 ' CD1' ' NE2' ' A' ' 16' ' ' GLN . 1.1 mp -117.5 162.85 26.47 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.553 0.692 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 164.22 35.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.09 176.75 28.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.418 ' HD3' ' CG2' ' A' ' 98' ' ' VAL . 54.2 Cg_endo -69.73 121.82 8.51 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.648 2.232 . . . . 0.0 112.399 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.99 111.4 2.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.552 0.692 . . . . 0.0 111.099 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 178.34 4.71 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.409 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 25.9 m120 47.05 40.26 9.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.461 ' CD2' ' HB ' ' A' ' 100' ' ' THR . 52.9 tp -75.44 104.56 6.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.1 mmm-85 -116.34 159.24 22.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.34 126.76 7.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.558 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 41.5 p90 -143.54 138.57 29.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.53 105.55 10.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.46 -38.85 85.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -140.99 163.5 42.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.668 0.747 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.93 3.99 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.716 2.278 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.0 p -127.72 -18.94 4.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 p -128.34 168.19 15.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.4 mt -143.17 137.35 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.558 ' HB ' ' CE1' ' A' ' 27' ' ' TYR . 87.9 m -103.38 137.19 41.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.3 t -133.81 127.19 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.8 p -124.68 131.54 53.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.545 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 45.5 p90 -134.52 167.73 20.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.409 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 50.8 mm-40 -118.93 165.25 14.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.5 m -85.73 133.03 42.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 0.0 111.17 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 112.96 3.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.29 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.1 m -56.42 -26.4 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 t -87.56 95.57 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.824 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -152.9 176.68 30.94 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -113.5 -56.85 2.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -106.1 177.75 22.54 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.522 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -84.84 121.51 27.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 49' ' ' GLN . 51.4 mm -47.87 147.97 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.409 ' N ' HG22 ' A' ' 48' ' ' ILE . 32.6 mt-30 -109.72 -53.75 2.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -143.86 151.06 39.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -110.96 116.79 31.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -90.97 118.54 30.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.9 tp -114.48 112.03 22.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -86.59 148.44 25.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -149.97 125.85 10.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.945 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -154.36 162.36 41.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 30.7 tt0 -86.13 133.57 33.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.97 99.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.54 42.76 0.94 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.429 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -128.72 -39.39 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.323 . . . . 0.0 111.163 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.3 t70 68.57 27.87 6.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -133.13 62.31 1.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -57.17 142.33 43.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -114.09 -177.64 3.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 1.3 p-10 -149.13 135.46 19.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.2 m -133.75 121.91 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -68.94 109.06 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 69' ' ' SER . 82.6 t -109.31 146.2 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.413 ' N ' HG12 ' A' ' 68' ' ' VAL . 58.7 m -102.99 -35.86 8.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.6 p -89.31 155.95 19.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.545 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 31.4 m80 -64.02 -26.4 68.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.5 m -119.67 133.99 55.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.444 ' CG ' ' N ' ' A' ' 74' ' ' THR . 71.7 t80 -126.3 170.18 12.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' A' ' 73' ' ' TYR . 37.6 m -135.03 110.34 9.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.11 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 95.5 mt -93.32 126.85 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -119.57 169.48 10.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.94 56.55 3.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.3 mt -127.2 169.89 12.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -77.1 154.85 32.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -83.33 148.31 27.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.8 t80 47.15 42.72 13.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.3 m -123.85 154.61 39.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.14 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -94.25 149.92 20.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 67.1 m-85 -145.69 132.06 19.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.76 152.11 24.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -147.2 134.28 20.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -150.95 126.23 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 84.4 t -96.01 148.22 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 70.6 t -136.43 140.46 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.98 129.53 34.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.526 ' CE1' ' HB3' ' A' ' 96' ' ' PRO . 33.7 m-85 -127.46 106.88 9.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -128.6 172.31 11.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 94' ' ' HIS . 16.9 ptpt -41.7 -43.18 2.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.462 ' N ' ' HG3' ' A' ' 93' ' ' LYS . 56.7 m-70 -58.98 -67.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 163.46 171.7 30.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.526 ' HB3' ' CE1' ' A' ' 91' ' ' TYR . 53.6 Cg_endo -69.76 110.41 2.55 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.343 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -73.76 -123.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.418 ' CG2' ' HD3' ' A' ' 20' ' ' PRO . 13.3 m -89.05 168.75 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 111.135 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.2 t -122.76 116.65 24.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.461 ' HB ' ' CD2' ' A' ' 24' ' ' LEU . 16.4 p -43.12 155.43 0.28 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.54 0.686 . . . . 0.0 111.16 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 130.6 19.59 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -41.89 134.91 2.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.446 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 43.8 t -119.52 74.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.32 127.67 32.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.9 p -138.28 141.73 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 35.7 ttp180 -95.7 130.05 42.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 20.7 p -69.11 178.06 2.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 37.9 mt -79.76 153.06 29.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.1 t -106.35 127.99 53.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -66.76 -58.15 5.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 75.0 m -43.5 153.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.56 80.03 0.51 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -50.02 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.691 2.26 . . . . 0.0 112.35 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.5 m -46.44 -57.52 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 61.6 p -127.14 113.1 15.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -121.51 159.99 25.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.857 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -40.41 152.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.15 97.12 0.37 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -155.88 177.63 11.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 0.0 110.83 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 m -157.61 178.01 10.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.53 144.62 7.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -135.39 158.36 44.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.362 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.6 m -104.48 159.38 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -130.61 136.23 48.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.0 p -74.97 140.48 43.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -172.82 148.44 1.72 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.529 0.68 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -175.19 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.239 . . . . 0.0 112.363 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -112.48 50.0 0.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 m -84.26 -173.71 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.143 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.408 ' C ' HD13 ' A' ' 17' ' ' LEU . 41.8 mm-40 -81.27 100.47 9.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 16' ' ' GLN . 1.0 OUTLIER -121.71 157.59 56.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.645 0.736 . . . . 0.0 110.866 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.413 ' HB3' ' ND2' ' A' ' 92' ' ' ASN . 54.1 Cg_endo -69.78 158.87 55.46 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.661 2.241 . . . . 0.0 112.352 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.53 179.51 31.88 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.465 ' HD3' ' CG2' ' A' ' 98' ' ' VAL . 54.4 Cg_endo -69.73 136.05 32.08 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.16 111.99 7.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.583 0.706 . . . . 0.0 111.07 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -179.46 2.94 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.424 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 25.9 m120 45.43 43.32 8.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.434 ' CD1' ' HB3' ' A' ' 38' ' ' TRP . 53.9 tp -80.38 100.52 8.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -109.2 150.66 27.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -147.39 129.57 15.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.076 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -150.69 138.88 20.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.33 102.89 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.068 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.79 -27.64 66.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 p -149.31 158.28 38.48 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.685 0.755 . . . . 0.0 110.829 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 1.03 4.8 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.36 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.4 p -130.04 -7.0 4.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.198 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.14 176.96 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.563 HG21 ' CE2' ' A' ' 86' ' ' PHE . 58.3 mt -155.37 122.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.2 m -98.91 132.43 44.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.3 t -125.42 131.61 72.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.2 p -124.65 146.19 49.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.434 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 31.4 p90 -150.67 174.2 13.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.424 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 10.0 mm-40 -123.84 165.52 17.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 55.5 m -85.47 135.77 38.21 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.58 0.705 . . . . 0.0 111.15 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 120.41 7.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.381 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 m -66.87 -23.04 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 m -92.15 133.5 35.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.13 -166.92 25.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -138.09 154.39 49.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.898 0.38 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.69 160.76 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.531 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -84.0 133.71 34.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.538 HG21 ' CE1' ' A' ' 51' ' ' TYR . 46.7 mm -48.98 130.53 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -77.35 -44.75 28.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -159.82 164.49 33.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.538 ' CE1' HG21 ' A' ' 48' ' ' ILE . 63.7 m-85 -118.65 123.48 45.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -103.8 122.31 44.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.3 tp -110.59 130.12 55.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 15.1 m-85 -102.39 158.3 16.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -162.05 128.88 3.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -159.06 161.6 36.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.564 ' HG3' ' CE2' ' A' ' 84' ' ' TYR . 30.9 mt-10 -81.63 144.46 31.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -67.69 107.46 2.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.89 44.49 2.07 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -127.74 -28.35 2.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 0.0 111.104 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 63.34 25.3 14.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -134.95 83.33 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -77.65 150.88 34.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.595 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 41.2 mt-30 -126.32 176.78 6.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -142.58 144.58 32.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.7 m -133.64 145.5 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.35 120.77 22.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 69' ' ' SER . 62.0 t -140.13 139.14 37.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.426 ' N ' HG13 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -131.24 47.58 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.831 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.9 p -154.46 168.24 27.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -91.62 22.64 3.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.6 p -169.26 126.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -138.96 150.13 45.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.1 m -121.89 126.98 49.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.5 mt -106.05 114.09 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -104.35 157.94 16.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.12 50.28 2.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 39.1 mt -122.76 166.4 15.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -76.65 168.74 19.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -95.19 151.58 19.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.6 t80 45.37 45.53 10.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.5 m -132.69 139.61 47.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -78.8 155.27 29.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 57' ' ' GLU . 41.6 m-85 -150.43 130.22 13.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.2 t -83.58 153.22 24.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.563 ' CE2' HG21 ' A' ' 34' ' ' ILE . 85.9 m-85 -151.27 131.32 13.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.437 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 13.1 ptt180 -149.16 135.11 18.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 95.0 t -106.22 147.0 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.6 t -123.95 135.36 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.08 145.26 26.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.056 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 24.0 m-85 -129.85 142.56 50.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.413 ' ND2' ' HB3' ' A' ' 18' ' ' PRO . 20.2 m-20 -148.02 155.6 41.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -38.57 -37.21 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -69.16 -62.85 1.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.837 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 174.33 169.3 36.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.443 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.5 Cg_endo -69.72 112.49 3.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 0.0 112.355 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -73.3 -157.25 4.18 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.465 ' CG2' ' HD3' ' A' ' 20' ' ' PRO . 21.8 m -57.99 -175.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.133 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.7 t -138.67 146.2 41.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 49.2 p -64.75 152.7 89.63 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.525 0.678 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 102' ' ' ASP . 53.8 Cg_endo -69.75 131.52 21.41 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.382 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 101' ' ' PRO . 13.0 m-20 -34.94 134.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.2 t -120.31 80.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.19 137.68 43.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 106' ' ' ARG . 11.8 p -145.7 144.94 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.42 ' N ' HG23 ' A' ' 105' ' ' VAL . 28.4 ttm180 -93.94 135.19 35.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.3 p -78.36 163.3 25.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.0 mt -66.69 136.74 55.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.3 p -71.06 150.8 45.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -107.13 -55.0 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 112' ' ' GLY . 34.0 t -80.99 -59.21 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 111' ' ' SER . . . -34.34 97.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 111' ' ' SER . 54.3 Cg_endo -69.72 -179.75 3.11 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.5 t -75.76 83.92 2.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 58.6 m -78.08 -59.88 2.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.54 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.1 p -96.8 155.7 16.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 0.0 110.885 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 p -170.61 176.61 4.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.2 -169.56 32.65 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -141.67 171.28 14.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 m -101.64 136.88 40.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.62 132.28 1.54 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -134.93 151.14 50.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.381 . . . . 0.0 110.836 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.9 t -110.92 136.26 47.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.48 148.76 50.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.2 p -92.63 171.23 9.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -117.01 143.45 31.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.57 0.7 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -168.14 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 0.0 112.336 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.64 125.39 23.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 16' ' ' GLN . 96.3 t -151.05 144.76 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.457 ' N ' HG12 ' A' ' 15' ' ' VAL . 83.3 mt-30 -79.6 48.95 0.97 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.427 ' CD2' ' HA2' ' A' ' 97' ' ' GLY . 2.4 mp -121.31 162.55 35.25 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.639 0.733 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 157.8 59.22 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.87 177.5 31.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 136.46 33.06 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.676 2.251 . . . . 0.0 112.34 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.16 118.61 37.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.559 0.695 . . . . 0.0 111.111 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 23' ' ' ASN . 53.5 Cg_endo -69.78 -175.32 1.12 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.691 2.26 . . . . 0.0 112.372 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 22' ' ' PRO . 1.0 OUTLIER 34.27 46.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.0 tp -79.47 101.93 8.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -112.59 155.44 24.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.72 128.84 11.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -147.41 148.44 31.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.94 112.86 23.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.086 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.32 -40.27 58.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -135.92 161.56 61.96 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.624 0.726 . . . . 0.0 110.877 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 1.84 4.08 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.644 2.229 . . . . 0.0 112.319 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.0 p -132.86 0.83 3.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.404 ' C ' HG13 ' A' ' 34' ' ' ILE . 3.4 p -142.79 173.31 11.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.427 HD11 ' CD1' ' A' ' 78' ' ' LEU . 97.2 mt -151.92 127.45 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.8 m -99.99 129.85 46.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.3 t -121.43 133.25 68.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 62.2 p -128.21 130.52 48.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 49.0 p90 -133.58 173.44 11.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -121.95 165.0 16.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.0 m -85.98 131.95 45.27 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.571 0.7 . . . . 0.0 111.166 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 109.16 2.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.304 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.8 m -46.74 -30.04 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.4 m -80.96 161.16 24.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 143.91 -176.88 22.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -120.35 -48.82 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -123.46 166.14 16.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -62.17 134.24 56.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.8 mm -62.57 124.09 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -71.63 -57.81 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -151.53 150.47 30.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -93.13 118.71 31.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.537 ' HG3' ' CE1' ' A' ' 54' ' ' TYR . 10.0 tptm -92.83 102.54 14.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.6 tp -99.25 133.12 44.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.537 ' CE1' ' HG3' ' A' ' 52' ' ' LYS . 2.0 m-85 -113.01 161.82 16.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -162.13 142.5 10.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.934 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -158.74 162.02 37.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.554 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 63.9 tt0 -95.95 105.6 17.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 57' ' ' GLU . 1.3 tppt? -29.56 101.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.14 -38.16 1.94 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -30.75 40.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.728 0.299 . . . . 0.0 111.133 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 67.81 24.95 8.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -156.02 120.7 4.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.9 pm0 -101.21 153.58 19.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -109.78 -174.3 2.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -141.36 133.1 27.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.2 m -130.54 129.34 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -69.16 129.95 41.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.3 t -143.3 137.59 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.6 m -123.19 46.88 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.7 m -159.09 162.82 36.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -89.77 31.12 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.2 p -171.84 126.61 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -139.86 159.98 40.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.936 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 56.2 m -131.08 119.78 22.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 85.7 mt -102.38 105.6 18.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -98.02 163.58 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.8 50.5 3.5 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.504 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.427 ' CD1' HD11 ' A' ' 34' ' ' ILE . 49.5 mt -122.49 168.77 11.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.882 0.372 . . . . 0.0 110.958 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -75.77 158.47 32.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -86.35 139.72 30.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 21.0 t80 53.39 51.4 15.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.1 m -135.21 141.55 45.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.107 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -81.2 151.51 28.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 57' ' ' GLU . 39.1 m-85 -145.9 129.33 16.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.943 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 t -83.6 142.44 30.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -137.77 138.12 38.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -150.18 133.45 16.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 96.9 t -102.74 137.5 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.515 HG13 ' CE2' ' A' ' 91' ' ' TYR . 54.8 t -124.48 131.87 72.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -88.92 119.76 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.076 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 96' ' ' PRO . 31.6 m-85 -112.41 114.23 26.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -124.78 170.15 11.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -43.2 -48.25 6.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -56.16 -57.81 10.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 156.71 173.1 24.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.448 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 91' ' ' TYR . 53.5 Cg_endo -69.82 107.82 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 0.0 112.296 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.427 ' HA2' ' CD2' ' A' ' 17' ' ' LEU . . . -64.43 -113.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.5 m -104.46 179.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 111.086 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.3 t -126.92 129.3 47.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.9 p -55.63 157.8 6.98 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.544 0.688 . . . . 0.0 111.164 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 102' ' ' ASP . 54.1 Cg_endo -69.77 130.98 20.27 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.637 2.225 . . . . 0.0 112.378 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 101' ' ' PRO . 3.3 m-20 -37.26 129.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.421 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 55.7 t -118.42 73.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.42 140.09 58.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.6 p -144.48 139.11 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 47.2 ttm-85 -91.34 133.69 35.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.6 p -79.56 164.78 23.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 64.7 mt -69.48 141.06 54.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.2 t -94.43 126.63 39.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -69.74 86.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.8 t -109.34 70.07 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 164.21 84.76 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.453 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 2.65 3.33 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.707 2.271 . . . . 0.0 112.332 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t 71.48 44.6 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.5 t -145.76 158.35 43.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.442 179.946 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.0 m -138.61 175.58 9.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.881 0.372 . . . . 0.0 110.862 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -82.4 117.7 22.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.828 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.63 40.27 0.2 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.3 t -111.82 47.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.887 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 p 49.05 42.24 20.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.37 -52.16 6.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -62.46 85.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.6 m -101.86 172.84 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -159.83 146.21 16.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.1 m -77.16 94.93 4.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -85.82 147.92 47.15 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.628 0.728 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 168.53 21.3 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.712 2.274 . . . . 0.0 112.353 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -118.38 137.14 53.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.8 t -116.45 -64.1 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.89 37.19 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.531 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 4.6 mm? -100.16 159.88 28.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.617 0.723 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 174.98 8.72 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.714 2.276 . . . . 0.0 112.327 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.01 170.56 20.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.461 ' HD3' ' CG2' ' A' ' 98' ' ' VAL . 53.6 Cg_endo -69.75 113.03 3.24 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.683 2.256 . . . . 0.0 112.322 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.87 111.91 1.08 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.527 0.679 . . . . 0.0 111.059 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' ASN . 54.1 Cg_endo -69.78 -174.2 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.704 2.269 . . . . 0.0 112.299 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.452 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER 34.4 51.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.6 tp -84.76 104.19 14.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.2 mmm-85 -114.18 168.03 10.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -165.51 127.51 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.066 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -141.66 143.91 33.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.84 106.49 15.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.117 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.25 -36.91 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -143.17 162.14 44.49 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.65 0.738 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 1.67 4.22 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.737 2.291 . . . . 0.0 112.341 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.8 p -125.63 -20.72 4.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 p -126.95 171.44 11.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.809 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.9 mt -147.97 126.36 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.9 m -94.26 126.57 39.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.1 t -124.09 135.53 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 37.5 p -131.08 140.03 49.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.09 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 49.3 p90 -142.31 165.28 27.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.452 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 25.2 mm-40 -109.35 163.65 13.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.8 m -86.75 132.07 43.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 111.107 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 115.46 4.11 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.653 2.235 . . . . 0.0 112.356 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.4 m -61.05 -44.02 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.7 p -78.47 144.67 35.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.46 165.06 13.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.528 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -47.7 -49.7 27.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.83 -149.39 19.72 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' HB2' ' NZ ' ' A' ' 93' ' ' LYS . 31.0 mt-10 43.16 43.69 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.8 mm -53.05 129.43 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.425 ' NE2' ' HB3' ' A' ' 93' ' ' LYS . 55.6 mt-30 -80.18 -45.81 17.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -156.76 140.95 16.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -93.61 130.0 39.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HA ' ' CE ' ' A' ' 52' ' ' LYS . 1.1 tpmt? -100.62 122.46 43.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.3 tp -116.37 127.3 54.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.472 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 1.1 m-85 -108.33 161.25 15.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.428 ' CE1' ' HB2' ' A' ' 64' ' ' GLN . 33.1 p90 -162.1 139.29 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.47 ' HB3' ' CB ' ' A' ' 63' ' ' GLU . 2.2 ptt? -159.03 161.87 36.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.433 ' HG3' ' CG2' ' A' ' 82' ' ' THR . 20.7 tt0 -85.35 132.14 34.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -55.6 97.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.67 42.3 0.74 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -133.16 -34.28 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.329 . . . . 0.0 111.124 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.6 t0 68.12 25.02 7.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -149.66 107.34 3.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 56' ' ' MET . 2.9 pt-20 -106.61 158.63 16.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.428 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 61.5 mt-30 -106.42 172.92 6.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -128.8 127.92 42.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.2 m -126.52 129.54 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.69 117.64 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.4 t -118.81 132.3 69.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.0 m -116.24 51.36 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.0 m -166.45 -178.6 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -85.61 -33.73 21.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 94.7 p -123.2 142.53 50.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.821 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -135.93 159.68 40.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 65.9 m -125.13 113.7 18.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 93.7 mt -96.91 107.38 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -101.5 173.02 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.1 47.73 6.88 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.465 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.9 mt -125.08 159.48 31.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.923 0.392 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -69.13 171.03 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.22 147.02 27.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.4 t80 56.05 41.64 29.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.502 HG21 ' CE2' ' A' ' 84' ' ' TYR . 36.7 m -131.33 136.84 48.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -79.7 153.56 29.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.502 ' CE2' HG21 ' A' ' 82' ' ' THR . 81.8 m-85 -152.08 133.29 14.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.964 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t -83.9 152.57 24.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -145.42 139.21 26.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.99 141.3 22.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 85.7 t -110.8 135.2 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 77.2 t -127.23 135.24 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.23 128.65 35.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 33.7 m-85 -120.86 114.41 21.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.429 ' O ' ' N ' ' A' ' 94' ' ' HIS . 34.5 p-10 -116.57 162.15 18.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.425 ' HB3' ' NE2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -39.41 -28.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 92' ' ' ASN . 50.3 m-70 -73.39 -64.35 1.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.817 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 171.8 -174.27 45.18 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.553 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.0 Cg_endo -69.72 127.57 14.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.258 . . . . 0.0 112.341 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.486 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -95.05 -157.33 32.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.486 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.461 ' CG2' ' HD3' ' A' ' 20' ' ' PRO . 20.5 m -50.71 175.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 111.153 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -132.81 118.07 18.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.1 p -56.9 158.46 8.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.629 0.728 . . . . 0.0 111.096 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 132.25 22.84 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.351 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -46.21 145.57 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.1 t -129.5 80.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.14 135.44 49.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.2 p -144.96 145.27 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -99.51 132.37 44.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 15.3 p -75.99 162.03 28.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 59.2 mt -64.74 152.13 43.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 60.5 p -95.8 114.37 26.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -111.11 -43.8 3.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.6 t -74.08 -50.06 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -39.39 160.07 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 127.25 14.34 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.682 2.254 . . . . 0.0 112.339 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 80.8 p -70.39 -35.83 73.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.4 m 60.01 44.5 13.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.433 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.1 p -135.8 174.95 10.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.8 p -171.15 162.27 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.42 178.09 36.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 m -136.74 175.35 9.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.839 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.3 p -109.46 -56.75 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.47 104.13 0.78 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -174.39 157.31 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.452 ' C ' ' CD ' ' A' ' 10' ' ' GLU . 3.7 m -115.62 23.86 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.452 ' CD ' ' C ' ' A' ' 9' ' ' VAL . 3.3 pm0 40.07 53.11 2.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.0 p -107.04 149.74 27.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -166.93 135.1 2.14 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.566 0.698 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 168.93 20.1 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.699 2.266 . . . . 0.0 112.369 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -46.66 150.75 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.6 p -159.71 145.25 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.416 ' C ' HD13 ' A' ' 17' ' ' LEU . 12.7 pt20 -93.57 64.66 3.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.416 HD13 ' C ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -122.36 161.92 40.69 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.627 0.727 . . . . 0.0 110.881 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.453 ' CG ' ' HB3' ' A' ' 90' ' ' ALA . 53.6 Cg_endo -69.78 169.46 18.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.292 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.11 173.89 20.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.458 ' HD3' ' CG2' ' A' ' 98' ' ' VAL . 53.2 Cg_endo -69.83 123.65 10.29 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.665 2.243 . . . . 0.0 112.34 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.01 110.88 1.95 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.555 0.693 . . . . 0.0 111.116 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 179.95 3.33 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.1 m120 43.14 48.07 5.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.442 ' CD1' ' HB3' ' A' ' 38' ' ' TRP . 21.9 tp -78.78 107.05 11.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.94 139.29 48.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -137.08 131.18 32.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -128.38 129.77 46.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.74 104.18 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.27 -43.54 98.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.04 164.17 41.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.64 0.733 . . . . 0.0 110.866 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 3.22 2.85 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.9 p -126.56 -19.4 4.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.409 ' C ' HG13 ' A' ' 34' ' ' ILE . 87.5 p -126.83 174.36 8.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.467 HD11 ' CG2' ' A' ' 107' ' ' THR . 87.9 mt -152.71 127.63 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.099 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.7 m -100.59 109.42 21.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.416 ' C ' HG21 ' A' ' 37' ' ' THR . 49.7 t -98.53 143.34 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.179 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.416 HG21 ' C ' ' A' ' 36' ' ' VAL . 2.0 p -132.48 161.69 33.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.442 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 48.4 p90 -164.34 157.33 17.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -106.93 165.32 11.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.0 m -85.65 129.8 53.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.633 0.73 . . . . 0.0 111.111 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 110.98 2.68 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.394 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.459 HG22 ' N ' ' A' ' 43' ' ' SER . 20.7 m -46.8 -24.36 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.459 ' N ' HG22 ' A' ' 42' ' ' VAL . 3.3 m -97.89 72.31 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -123.04 113.11 2.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.54 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 27.3 m-80 -59.68 117.72 5.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.16 -119.12 5.53 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -142.16 150.1 40.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.2 mm -83.25 127.73 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -87.83 -57.46 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -147.12 159.58 43.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -113.73 141.65 47.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -110.91 112.17 23.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.2 tp -100.09 130.29 46.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 1.3 m-85 -108.17 162.35 14.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -162.14 128.61 3.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -153.04 161.5 42.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -88.13 135.36 33.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 95.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.29 40.7 0.67 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.466 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.05 -25.86 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.185 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 64.1 26.15 13.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -146.21 112.22 5.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -96.72 146.9 24.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.452 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 12.3 mm-40 -112.48 179.54 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -145.09 139.9 27.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.2 m -134.19 137.48 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.9 115.82 17.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.524 HG21 ' CD1' ' A' ' 73' ' ' TYR . 85.9 t -119.32 125.72 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.5 m -102.78 51.16 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -172.93 173.72 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.44 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 17.6 m170 -72.67 -28.55 62.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 t -129.21 151.59 49.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.524 ' CD1' HG21 ' A' ' 68' ' ' VAL . 74.8 t80 -138.35 170.86 15.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.446 ' N ' ' CG ' ' A' ' 73' ' ' TYR . 96.6 m -134.37 117.04 15.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.163 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 62.0 mt -101.72 115.45 43.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -106.02 157.51 17.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.66 53.98 2.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.533 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.8 mt -123.61 173.2 8.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.878 0.37 . . . . 0.0 110.917 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -79.85 150.2 30.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -78.18 143.79 36.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 18.2 t80 47.88 43.82 17.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.4 m -127.95 139.37 52.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -79.05 149.16 32.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -145.38 130.89 18.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -83.16 140.3 32.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -136.7 140.98 43.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -148.02 160.63 42.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 89' ' ' VAL . 77.3 t -128.93 140.08 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.077 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.442 ' N ' HG13 ' A' ' 88' ' ' VAL . 90.4 t -128.91 135.4 62.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.453 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . . . -87.36 136.51 32.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 96' ' ' PRO . 29.8 m-85 -128.81 111.75 13.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 93' ' ' LYS . 51.5 p30 -132.42 165.06 25.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 92' ' ' ASN . 36.0 pttt -35.08 -48.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.54 ' CE1' ' HB3' ' A' ' 45' ' ' ASN . 15.9 m-70 -52.62 -67.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 165.04 176.0 36.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.555 ' HB3' ' CE1' ' A' ' 91' ' ' TYR . 53.3 Cg_endo -69.82 113.21 3.31 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.695 2.263 . . . . 0.0 112.312 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -83.39 -167.62 41.98 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.445 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.458 ' CG2' ' HD3' ' A' ' 20' ' ' PRO . 33.8 m -50.95 178.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.877 0.37 . . . . 0.0 111.128 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.6 t -132.67 135.82 46.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.7 p -57.52 158.04 12.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.708 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 102' ' ' ASP . 54.3 Cg_endo -69.75 131.93 22.29 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 2.265 . . . . 0.0 112.348 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 101' ' ' PRO . 4.9 m-20 -36.26 136.75 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.426 HG23 ' CD2' ' A' ' 24' ' ' LEU . 87.3 t -123.0 78.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.96 133.61 46.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.5 p -138.03 144.17 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -97.67 128.41 44.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.467 ' CG2' HD11 ' A' ' 34' ' ' ILE . 2.7 p -73.17 155.12 39.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 27.4 mt -55.25 148.68 14.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 88.0 p -97.74 115.34 27.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.841 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -48.03 136.58 11.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.1 t -46.88 137.07 7.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.79 -166.51 29.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 93.64 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.1 t -102.71 114.09 28.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 84.8 p -124.02 -44.27 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 t -149.53 171.46 16.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 0.0 110.876 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -138.72 174.47 10.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.43 143.83 15.61 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.529 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 p -86.84 -48.44 8.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.849 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.6 m 59.77 44.83 13.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.4 174.92 0.76 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.45 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -162.94 164.72 25.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -56.05 173.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -137.71 110.36 7.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.5 m -131.05 121.69 25.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -71.12 138.85 84.72 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.583 0.706 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -170.26 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -65.87 173.5 2.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.4 m -101.46 -29.81 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.421 ' C ' HD23 ' A' ' 17' ' ' LEU . 24.4 mt-30 -80.75 65.03 5.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.526 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 4.4 mm? -118.62 161.2 36.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.542 0.687 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.485 ' HD2' ' CD1' ' A' ' 17' ' ' LEU . 53.7 Cg_endo -69.7 170.63 16.06 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.64 170.66 31.15 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 124.34 10.99 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.87 110.1 1.61 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.61 0.719 . . . . 0.0 111.144 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -178.14 2.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.641 2.227 . . . . 0.0 112.338 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.422 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 27.3 m120 40.49 47.24 2.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.5 tp -84.16 104.89 14.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.1 mmm-85 -113.72 170.16 8.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -164.75 126.96 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.105 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -144.36 145.19 31.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.67 105.6 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.088 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.5 -43.43 73.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -131.55 161.69 60.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.678 0.751 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 0.26 5.89 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.709 2.273 . . . . 0.0 112.359 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.8 p -132.28 3.64 3.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.15 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 p -143.63 176.12 9.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.443 HD13 ' CD1' ' A' ' 78' ' ' LEU . 80.2 mt -153.79 134.4 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.4 m -105.58 126.27 51.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.3 t -122.17 126.11 73.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.0 p -120.69 134.9 55.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.539 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 49.0 p90 -137.71 168.36 19.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 3.6 mm-40 -115.15 164.71 13.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.401 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 98.0 m -87.46 137.17 32.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.578 0.704 . . . . 0.0 111.124 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.77 112.63 3.13 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.256 . . . . 0.0 112.319 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.408 HG22 ' N ' ' A' ' 43' ' ' SER . 28.5 m -51.07 -27.22 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.408 ' N ' HG22 ' A' ' 42' ' ' VAL . 46.5 m -95.9 167.26 11.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.03 138.17 4.02 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -92.5 100.73 13.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.33 157.75 22.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -72.69 136.17 45.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.433 HG21 ' N ' ' A' ' 49' ' ' GLN . 50.6 mm -64.21 139.03 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.433 ' N ' HG21 ' A' ' 48' ' ' ILE . 25.8 mm-40 -86.4 -60.54 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -150.62 161.59 42.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -104.91 123.06 47.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.455 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 0.6 OUTLIER -96.84 111.5 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.5 tp -102.57 121.92 43.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.455 ' CE1' ' HG2' ' A' ' 52' ' ' LYS . 6.9 m-85 -101.34 155.87 17.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.408 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 22.3 p90 -159.72 135.9 8.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.922 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -156.97 161.12 39.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -89.74 134.14 34.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -56.49 94.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.86 40.04 0.67 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.535 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 m -126.24 -26.07 3.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.767 0.318 . . . . 0.0 111.132 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.28 25.58 15.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -147.83 105.3 3.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -95.24 151.72 18.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -113.43 176.66 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -141.89 132.59 25.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.6 m -129.35 137.77 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.9 116.31 21.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.0 t -119.22 125.89 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.3 p -81.85 -37.92 26.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.9 p -83.98 168.59 15.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.539 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 35.3 m80 -76.33 -25.52 54.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.9 p -122.63 135.49 54.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -127.71 155.63 43.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.956 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.8 m -118.7 106.35 12.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.162 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.1 mt -89.2 120.98 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -114.27 169.87 8.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.73 46.88 6.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.435 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.443 ' CD1' HD13 ' A' ' 34' ' ' ILE . 47.1 mt -118.71 163.59 16.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.908 0.385 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -74.5 165.19 25.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.413 ' CD ' ' HB3' ' A' ' 110' ' ' ASP . 6.3 mtmm -94.97 135.85 36.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.1 t80 62.55 45.71 6.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.456 HG23 ' N ' ' A' ' 83' ' ' GLU . 85.0 m -132.83 142.33 48.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.171 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.456 ' N ' HG23 ' A' ' 82' ' ' THR . 20.7 tt0 -84.24 154.22 23.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.435 ' CZ ' HG21 ' A' ' 82' ' ' THR . 97.4 m-85 -151.57 129.06 11.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.55 141.01 31.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.881 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.408 ' CE1' ' HB2' ' A' ' 55' ' ' TYR . 86.9 m-85 -135.02 137.86 43.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.43 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 9.2 ptt180 -147.96 139.5 23.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.1 t -107.26 144.48 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.543 HG12 ' CE1' ' A' ' 91' ' ' TYR . 91.5 t -134.07 132.63 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.99 127.64 35.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 31.1 m-85 -118.81 110.96 17.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.9 p30 -113.21 178.36 4.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.541 ' HD2' ' CE1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -48.43 -37.94 18.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.541 ' CE1' ' HD2' ' A' ' 93' ' ' LYS . 74.9 m-70 -64.86 -70.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.526 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 175.54 -169.53 42.32 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.514 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.3 Cg_endo -69.82 121.83 8.5 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.49 ' N ' HD13 ' A' ' 17' ' ' LEU . . . -86.09 -155.51 26.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 17.3 m -58.7 173.22 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.8 t -124.76 118.23 25.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.1 p -51.8 159.0 1.44 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.558 0.694 . . . . 0.0 111.131 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 130.73 19.85 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.665 2.243 . . . . 0.0 112.335 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -42.27 137.19 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.7 t -123.32 80.32 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.92 130.99 41.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.8 p -137.97 145.92 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.9 ttm-85 -98.6 126.65 44.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 44.3 p -74.54 163.84 27.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.5 mt -69.12 145.67 53.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.9 t -100.17 129.88 46.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.413 ' HB3' ' CD ' ' A' ' 80' ' ' LYS . 0.9 OUTLIER -69.54 -47.53 63.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.401 ' N ' ' CG ' ' A' ' 110' ' ' ASP . 23.2 t -97.81 91.58 5.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -154.95 87.63 0.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.452 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 114' ' ' SER . 54.0 Cg_endo -69.75 3.02 3.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.701 2.267 . . . . 0.0 112.358 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 113' ' ' PRO . 6.1 t -33.83 111.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.6 t -123.0 120.03 32.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -56.15 108.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.874 0.368 . . . . 0.0 110.864 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -166.73 170.31 12.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -147.4 40.52 0.99 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.478 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 4' ' ' GLY . 5.6 m -34.5 108.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.867 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -140.85 168.33 20.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.12 45.39 5.04 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -95.3 103.19 15.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.5 t -138.15 105.51 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -123.75 95.34 4.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.5 m -101.6 124.38 47.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.4 mp0 -67.97 159.7 78.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.577 0.703 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 176.25 6.99 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -122.93 102.42 8.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.412 ' CG2' ' N ' ' A' ' 16' ' ' GLN . 15.0 p -166.22 165.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.432 ' C ' HD11 ' A' ' 17' ' ' LEU . 6.4 mp0 -49.19 104.29 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.432 HD11 ' C ' ' A' ' 16' ' ' GLN . 1.1 mp -128.37 162.6 49.69 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.581 0.705 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.43 ' HD3' ' ND2' ' A' ' 92' ' ' ASN . 54.1 Cg_endo -69.79 178.52 4.5 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.315 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.1 170.23 13.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.42 ' HD3' ' CG2' ' A' ' 98' ' ' VAL . 53.7 Cg_endo -69.75 118.47 5.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.63 108.23 0.86 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.585 0.707 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -179.07 2.68 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.313 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.457 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER 40.83 44.18 1.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.7 tp -77.12 103.84 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -107.69 159.97 16.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.2 126.85 7.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.517 ' CZ ' HG21 ' A' ' 35' ' ' THR . 29.0 p90 -145.68 148.86 33.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.34 112.67 21.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.068 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.42 -12.82 57.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.051 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.69 156.51 6.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.649 0.738 . . . . 0.0 110.864 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 5.1 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.737 2.292 . . . . 0.0 112.309 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.4 p -127.41 -10.75 5.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 p -139.62 177.19 8.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.465 ' CD1' HG21 ' A' ' 107' ' ' THR . 89.1 mt -152.61 116.79 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.517 HG21 ' CZ ' ' A' ' 27' ' ' TYR . 99.5 m -87.97 133.99 33.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.9 t -129.09 132.49 67.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 59.8 p -125.55 135.09 51.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.546 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 43.6 p90 -134.55 164.33 27.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.457 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 29.0 mt-10 -111.24 165.0 12.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.8 m -86.01 130.61 49.61 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.542 0.687 . . . . 0.0 111.168 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 110.25 2.5 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.408 ' CG2' ' N ' ' A' ' 43' ' ' SER . 25.0 m -47.91 -46.59 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.408 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 14.4 t -82.93 92.81 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -155.44 127.71 2.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.538 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -73.12 126.3 29.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.6 157.59 0.25 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -72.55 135.25 45.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.871 0.367 . . . . 0.0 110.855 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.1 mm -59.41 128.51 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -78.11 -49.98 12.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -151.91 162.52 40.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -116.61 139.06 50.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.462 ' HD2' ' CE1' ' A' ' 91' ' ' TYR . 7.5 tttp -116.21 114.2 24.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.8 tp -103.1 131.42 50.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.447 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 4.3 m-85 -105.01 161.42 14.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -161.95 133.17 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -154.1 160.46 41.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.445 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 20.0 tt0 -85.31 138.34 32.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -60.86 103.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.91 43.82 1.37 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.532 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -127.64 -38.36 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 111.177 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.7 t70 73.88 28.81 1.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -154.41 110.52 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -108.55 156.35 19.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -115.21 -175.68 2.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.6 p30 -140.44 139.35 35.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.822 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.5 m -127.93 134.75 64.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -76.85 102.64 6.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.5 t -104.57 149.3 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.1 p -113.36 -30.94 6.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.1 m -100.33 150.96 22.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.546 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 39.1 m80 -54.92 -43.37 73.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 97.0 p -99.66 132.63 44.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -135.92 142.61 44.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.6 m -110.04 109.87 20.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.427 HD13 ' CE1' ' A' ' 86' ' ' PHE . 64.7 mt -87.21 110.94 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -96.83 168.86 10.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.89 62.35 2.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.501 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 60.3 mt -128.87 173.09 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.33 162.55 21.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.926 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.2 mttm -90.3 141.52 28.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 27.5 t80 47.81 45.86 18.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.437 HG23 ' CE2' ' A' ' 84' ' ' TYR . 90.8 m -130.42 132.31 45.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -74.73 148.82 40.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.445 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 49.5 m-85 -145.77 135.27 23.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.9 t -84.05 151.7 24.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.427 ' CE1' HD13 ' A' ' 75' ' ' ILE . 75.0 m-85 -146.15 139.43 25.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.447 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 6.5 ptp180 -151.1 136.74 17.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 89' ' ' VAL . 87.8 t -102.98 137.36 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.542 HG11 ' CE1' ' A' ' 91' ' ' TYR . 60.4 t -124.75 134.45 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.76 139.58 30.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.542 ' CE1' HG11 ' A' ' 89' ' ' VAL . 30.4 m-85 -129.95 111.07 12.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 93' ' ' LYS . 52.0 p-10 -123.29 161.12 25.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 92' ' ' ASN . 14.3 ptmt -34.25 -46.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -57.88 -65.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.74 175.89 38.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 108.81 2.18 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -73.11 -164.1 8.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.42 ' CG2' ' HD3' ' A' ' 20' ' ' PRO . 17.3 m -48.48 178.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 111.098 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.7 t -130.86 131.62 44.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.9 p -57.98 155.62 23.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.579 0.704 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 130.05 18.71 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.707 2.271 . . . . 0.0 112.324 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -38.06 146.01 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 81.5 t -131.8 78.61 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.44 128.47 35.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.126 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.41 HG23 ' N ' ' A' ' 106' ' ' ARG . 11.2 p -135.58 144.96 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.41 ' N ' HG23 ' A' ' 105' ' ' VAL . 37.7 ttm-85 -94.43 129.19 41.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.465 HG21 ' CD1' ' A' ' 34' ' ' ILE . 32.2 p -72.32 161.33 30.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 57.5 mt -63.27 152.74 36.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.7 p -100.07 123.91 44.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -77.09 -52.4 9.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.4 t -60.18 -61.56 2.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 166.97 -175.69 42.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -21.9 32.78 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.63 2.22 . . . . 0.0 112.366 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 78.5 p -86.67 105.53 16.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.6 t -128.77 95.07 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 1' ' ' GLY . 96.8 p 34.44 42.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.861 0.363 . . . . 0.0 110.874 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.5 m -99.24 -56.48 2.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.76 151.97 5.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 m -141.9 140.2 32.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 0.0 110.838 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -148.96 128.34 13.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.62 -67.36 0.24 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 9' ' ' VAL . 3.1 mmp_? 51.69 54.84 10.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 0.0 110.89 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.446 ' CG1' HG23 ' A' ' 11' ' ' THR . 48.9 t -34.67 137.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -102.69 82.01 2.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.446 HG23 ' CG1' ' A' ' 9' ' ' VAL . 14.0 p -125.51 78.98 1.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.83 149.11 9.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.562 0.696 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 174.52 9.4 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.323 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -46.4 140.36 4.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.445 HG22 ' N ' ' A' ' 16' ' ' GLN . 7.1 p -117.19 158.17 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.445 ' N ' HG22 ' A' ' 15' ' ' VAL . 12.1 pt20 -85.84 77.39 9.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.538 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 4.4 mm? -132.09 161.12 64.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.589 0.709 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.489 ' HD2' ' CD1' ' A' ' 17' ' ' LEU . 54.3 Cg_endo -69.71 169.27 19.24 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.366 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.74 174.27 29.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 121.97 8.65 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.46 112.43 2.07 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.578 0.704 . . . . 0.0 111.113 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 23' ' ' ASN . 53.7 Cg_endo -69.75 -176.74 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.668 2.245 . . . . 0.0 112.342 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 22' ' ' PRO . 1.1 m-80 37.4 45.11 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.451 ' CD2' HG22 ' A' ' 103' ' ' VAL . 44.1 tp -78.44 99.6 6.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -106.61 160.06 15.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.451 ' HB2' ' CG1' ' A' ' 103' ' ' VAL . . . -158.39 126.98 5.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.509 ' CZ ' HG22 ' A' ' 35' ' ' THR . 26.1 p90 -144.72 149.92 36.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.18 105.25 16.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.057 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.34 -34.32 74.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m -142.23 163.0 42.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.671 0.748 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -4.39 13.93 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.689 2.26 . . . . 0.0 112.364 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 47.5 p -129.67 -2.11 4.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 t -134.54 173.79 11.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.404 HD12 ' CG2' ' A' ' 107' ' ' THR . 68.7 mt -150.88 131.53 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.509 HG22 ' CZ ' ' A' ' 27' ' ' TYR . 71.6 m -105.65 120.46 41.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.5 t -116.11 130.43 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 30.5 p -128.35 130.36 47.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.405 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 46.6 p90 -132.57 166.85 21.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -115.31 165.05 13.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.5 m -86.02 136.24 36.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 111.121 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 106.51 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 0.0 112.333 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.1 m -39.96 -34.45 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.4 t -93.28 104.91 17.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -151.52 101.31 0.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -47.96 -43.96 29.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.376 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.13 154.08 16.77 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.503 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -69.71 121.27 16.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.417 ' CD1' ' HB3' ' A' ' 90' ' ' ALA . 49.5 mm -49.25 118.32 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -76.66 -46.85 24.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -153.92 152.96 31.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -104.97 129.4 53.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -106.14 127.81 53.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.5 tp -119.68 117.71 29.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -96.63 155.68 16.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.447 ' CE1' ' HB2' ' A' ' 64' ' ' GLN . 25.0 p90 -155.86 137.9 14.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -155.88 157.88 37.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.459 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 14.3 tt0 -86.53 133.74 33.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.468 ' HE3' ' CB ' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -57.68 94.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.07 37.57 0.87 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.507 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -125.02 -35.16 2.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.319 . . . . 0.0 111.111 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 t0 70.75 25.38 4.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.47 110.81 4.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -104.64 158.68 16.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.447 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 21.2 mm-40 -115.77 -175.04 2.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -144.05 130.65 20.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.42 125.25 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 67' ' ' ASP . 0.5 OUTLIER -73.13 117.5 14.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 69' ' ' SER . 95.4 t -123.65 139.39 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.426 ' N ' HG12 ' A' ' 68' ' ' VAL . 63.8 m -93.17 -39.04 11.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.3 p -91.42 165.78 13.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -84.53 24.96 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.9 p -155.47 116.3 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -125.42 156.0 39.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.7 m -121.04 117.51 27.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.7 mt -98.3 112.32 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -103.73 175.24 5.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.41 48.03 25.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 60.9 mt -117.71 165.3 13.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -82.22 151.94 26.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -80.96 143.55 32.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.452 ' CD1' ' HB3' ' A' ' 109' ' ' SER . 2.8 t80 53.94 53.31 11.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.7 m -141.02 126.77 19.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.33 147.4 46.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.459 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 46.4 m-85 -143.48 130.16 20.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -82.81 148.29 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -142.98 142.13 31.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -151.03 128.61 11.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 59.6 t -101.54 138.38 25.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 69.6 t -122.52 133.22 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.417 ' HB3' ' CD1' ' A' ' 48' ' ' ILE . . . -87.08 128.24 35.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.086 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 32.1 m-85 -116.06 122.23 44.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -114.74 163.19 15.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 94' ' ' HIS . 9.4 ptpp? -39.92 -36.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.423 ' N ' ' HG3' ' A' ' 93' ' ' LYS . 20.1 m-70 -70.8 -66.64 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.538 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . -178.8 -172.45 43.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.554 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.7 Cg_endo -69.81 132.15 22.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.373 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.486 ' N ' HD13 ' A' ' 17' ' ' LEU . . . -88.16 -118.72 1.44 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.461 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 27.0 m -95.35 -177.8 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 0.0 111.133 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.0 t -129.5 110.6 11.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.6 p -44.58 158.03 0.29 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 111.125 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 130.86 20.08 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.82 132.96 1.16 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.451 HG22 ' CD2' ' A' ' 24' ' ' LEU . 74.6 t -119.92 80.9 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.159 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.468 ' CB ' ' HE3' ' A' ' 58' ' ' LYS . . . -72.97 141.26 47.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.63 143.42 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.0 ttm-85 -95.1 130.18 41.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.404 ' CG2' HD12 ' A' ' 34' ' ' ILE . 39.9 p -77.3 162.13 27.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.4 mt -66.17 138.76 57.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.452 ' HB3' ' CD1' ' A' ' 81' ' ' TYR . 95.3 p -86.0 125.72 33.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -80.83 42.89 0.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.1 p -140.47 172.28 12.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.67 74.19 1.16 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.514 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -2.26 9.89 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 115' ' ' SER . 94.1 p -86.19 89.1 7.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 114' ' ' SER . 58.3 m 36.85 42.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 115' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -149.29 123.38 9.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -87.45 -53.63 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.61 125.35 2.75 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.459 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.4 m -51.48 143.99 11.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.878 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -84.75 46.85 1.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.846 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.38 -147.77 27.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.8 ptt-85 -174.57 114.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.2 m -111.8 140.03 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.25 68.0 0.75 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.8 p -145.35 113.8 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -143.97 139.23 15.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.636 0.732 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -176.47 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.726 2.284 . . . . 0.0 112.334 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.409 ' C ' HG21 ' A' ' 15' ' ' VAL . 18.6 mt-10 -106.15 123.26 47.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 16' ' ' GLN . 64.4 t -138.8 137.88 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.445 ' N ' HG12 ' A' ' 15' ' ' VAL . 38.9 mt-30 -63.74 103.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 95' ' ' GLY . 44.3 mt -143.04 155.5 62.16 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.452 ' HD3' ' ND2' ' A' ' 92' ' ' ASN . 54.3 Cg_endo -69.75 148.08 64.37 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.683 2.255 . . . . 0.0 112.365 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.41 173.97 55.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 128.91 16.72 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.73 2.287 . . . . 0.0 112.336 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.95 112.04 4.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.712 . . . . 0.0 111.068 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -179.33 2.83 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.371 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.402 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 27.3 m120 40.83 49.32 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.6 tp -86.62 99.36 11.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.7 mmp_? -110.68 163.85 13.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.454 ' CB ' HG13 ' A' ' 103' ' ' VAL . . . -156.75 127.43 6.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.469 ' CZ ' HG23 ' A' ' 35' ' ' THR . 37.5 p90 -143.17 139.2 30.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.78 106.62 9.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.05 -37.3 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -144.94 162.32 38.63 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.661 0.743 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 1.8 4.1 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.323 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.3 p -131.48 -1.73 3.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.4 p -143.44 170.19 16.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.1 mt -147.16 134.76 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.469 HG23 ' CZ ' ' A' ' 27' ' ' TYR . 67.3 m -105.5 132.07 52.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.0 t -125.49 130.24 72.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.9 p -123.39 133.65 54.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 41.4 p90 -139.56 166.46 24.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.402 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 5.6 mm-40 -116.77 165.34 13.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.5 m -85.7 133.24 42.15 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.613 0.721 . . . . 0.0 111.114 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 114.92 3.87 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.249 . . . . 0.0 112.341 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 43' ' ' SER . 17.6 m -53.68 -38.82 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.444 ' N ' HG23 ' A' ' 42' ' ' VAL . 84.0 p -90.3 113.34 25.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.01 162.43 36.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.508 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -100.88 120.02 39.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.26 -155.57 53.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -103.42 151.98 22.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.478 HG23 ' CE1' ' A' ' 51' ' ' TYR . 20.6 mm -78.44 112.8 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -60.4 -53.75 53.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -157.19 165.73 35.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.478 ' CE1' HG23 ' A' ' 48' ' ' ILE . 27.7 m-85 -113.03 125.6 54.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.97 123.3 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.7 tp -114.46 113.58 24.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.451 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 4.9 m-85 -91.22 159.12 16.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.423 ' CZ ' ' NE2' ' A' ' 64' ' ' GLN . 13.4 p90 -161.85 137.03 7.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -156.36 162.15 40.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 58' ' ' LYS . 10.3 tt0 -94.31 110.47 22.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' GLU . 13.9 tptp -33.86 104.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 128.32 -39.0 1.96 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.528 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -29.4 54.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.323 . . . . 0.0 111.084 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 64.02 25.04 13.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -151.11 118.04 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.71 157.65 16.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.423 ' NE2' ' CZ ' ' A' ' 55' ' ' TYR . 18.7 mt-30 -114.72 -174.74 2.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.53 130.01 25.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.1 m -128.23 138.83 53.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -73.45 123.98 24.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.4 t -130.48 123.89 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.2 m -110.96 37.01 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.2 m -152.05 146.51 25.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -55.75 -32.22 63.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.8 p -120.13 150.12 41.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -141.89 157.57 44.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.9 m -128.88 113.93 15.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.2 mt -94.39 122.41 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.01 157.53 21.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.83 56.13 2.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 26.5 mt -129.28 168.31 16.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -82.45 166.43 19.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.95 146.86 23.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.5 t80 52.65 44.58 29.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 83' ' ' GLU . 98.4 m -129.32 135.25 48.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.409 ' N ' HG22 ' A' ' 82' ' ' THR . 10.4 tt0 -76.63 145.43 38.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -141.79 132.78 26.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.7 t -88.13 151.74 22.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -147.52 140.22 24.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.451 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 6.1 ptp180 -151.05 138.49 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 90.5 t -108.16 139.77 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 86.8 t -135.64 143.78 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -96.52 122.73 39.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.122 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.54 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 21.2 m-85 -108.79 112.5 24.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.452 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 43.8 p-10 -124.28 161.52 25.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 92' ' ' ASN . 4.8 ptpp? -36.01 -41.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -62.78 -67.36 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.5 ' O ' ' CD2' ' A' ' 17' ' ' LEU . . . 174.03 172.22 39.1 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.54 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.5 Cg_endo -69.79 87.52 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -51.46 -174.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.3 m -42.98 166.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.343 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.8 t -127.23 137.28 52.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.49 158.29 21.91 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.568 0.699 . . . . 0.0 111.165 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 130.97 20.28 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.679 2.253 . . . . 0.0 112.348 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -40.69 139.29 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.454 HG13 ' CB ' ' A' ' 26' ' ' ALA . 86.4 t -121.68 79.79 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.43 136.64 51.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.1 p -147.02 145.88 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 42.9 ttm-85 -101.05 131.04 47.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.4 p -72.01 171.96 10.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.176 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 46.6 mt -74.77 143.98 43.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 83.0 p -87.46 125.29 34.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -85.21 45.19 1.15 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 54.5 m -107.23 -44.81 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -53.84 132.36 44.34 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 165.16 31.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.5 t -59.97 -37.84 80.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.7 t -74.91 -62.24 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.491 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.6 p -152.44 155.26 37.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.934 0.397 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -110.22 175.64 5.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.5 -177.8 39.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -157.4 154.23 28.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.815 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -166.56 173.75 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.98 76.81 0.26 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.4 mmm-85 -69.84 87.06 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.2 m -118.74 129.21 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -62.36 86.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.6 m -124.06 87.29 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.154 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -60.95 151.13 75.49 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.534 0.683 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 161.74 44.75 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.729 2.286 . . . . 0.0 112.334 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -100.32 -175.88 3.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.6 m -113.9 -19.26 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.497 HE22 ' CE1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -84.62 39.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.528 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 4.4 mm? -85.12 161.43 52.4 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.633 0.73 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.483 ' HD2' ' CD1' ' A' ' 17' ' ' LEU . 54.2 Cg_endo -69.77 154.6 67.52 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.274 . . . . 0.0 112.33 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.23 167.25 54.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.448 ' HD3' ' CG2' ' A' ' 98' ' ' VAL . 53.7 Cg_endo -69.75 134.84 28.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.366 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.63 109.97 2.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.569 0.7 . . . . 0.0 111.118 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -178.4 2.32 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.414 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 24.1 m120 44.28 42.85 5.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.443 ' CD2' HG22 ' A' ' 103' ' ' VAL . 60.1 tp -76.92 102.59 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -111.94 163.0 14.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -160.75 127.0 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -143.49 148.63 36.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.66 109.45 20.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.076 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.78 -38.65 58.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.2 m -138.41 158.41 70.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.643 0.735 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.95 2.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.8 p -131.95 -3.2 3.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 p -138.76 176.86 8.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.814 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.431 ' CD1' ' CG2' ' A' ' 107' ' ' THR . 62.3 mt -156.42 129.42 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.7 m -103.22 139.74 38.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.6 t -132.92 131.75 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.1 p -123.67 129.82 51.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.509 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 49.0 p90 -134.01 162.92 30.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.981 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.414 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 33.4 mm-40 -114.34 165.22 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.426 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 89.5 m -85.67 137.95 35.89 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.589 0.709 . . . . 0.0 111.173 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.426 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.82 124.6 11.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.74 -28.8 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.2 t -93.44 166.68 12.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.48 -171.3 18.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -128.3 106.54 9.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.29 168.01 40.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -88.06 156.39 19.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.5 mm -83.81 156.24 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.445 ' CD ' ' N ' ' A' ' 49' ' ' GLN . 2.7 mp0 -118.48 -38.62 3.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -143.37 160.39 40.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -127.49 117.21 21.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.562 ' HD2' ' CE1' ' A' ' 91' ' ' TYR . 10.4 ttmm -90.27 131.91 35.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.7 tp -121.13 125.39 47.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 1.6 m-85 -103.21 148.1 26.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -151.58 133.12 14.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -157.18 162.23 39.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.552 ' HG3' ' CE2' ' A' ' 84' ' ' TYR . 33.7 mt-10 -82.21 136.81 35.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -59.88 101.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.86 42.95 2.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.469 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 m -124.27 -35.51 2.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 111.164 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t70 71.48 27.7 3.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -134.8 82.4 1.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.401 ' OE2' ' NE ' ' A' ' 87' ' ' ARG . 4.0 tt0 -73.38 150.47 41.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.409 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 28.1 mt-30 -122.93 -179.47 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -153.72 130.79 11.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.5 m -127.56 132.81 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -77.82 117.15 18.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.8 t -124.3 145.67 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.6 t -103.27 -36.48 8.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.6 m -80.82 172.11 14.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.509 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 16.8 m80 -79.73 -34.16 40.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.9 p -112.04 143.59 42.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -139.29 149.91 44.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.7 m -117.45 116.41 27.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.9 mt -95.53 118.18 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -105.78 172.06 7.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.3 56.45 4.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.446 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.9 mt -129.15 162.44 27.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -76.66 170.98 15.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -97.68 141.96 30.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.7 t80 55.87 44.09 26.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.4 m -127.01 136.03 51.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.158 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -79.0 144.83 34.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 57' ' ' GLU . 42.1 m-85 -140.75 130.15 23.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.0 t -84.31 149.64 25.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -146.28 140.53 26.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.426 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 5.5 ptp180 -151.01 132.7 14.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 72.0 t -100.54 129.63 51.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.533 HG12 ' CE1' ' A' ' 91' ' ' TYR . 91.0 t -118.78 137.81 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.98 125.11 33.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 23.5 m-85 -121.41 108.2 13.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -117.69 171.25 8.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -42.66 -41.87 3.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.497 ' CE1' HE22 ' A' ' 16' ' ' GLN . 38.8 m-70 -61.85 -70.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.528 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 177.03 -178.59 48.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.0 Cg_endo -69.69 125.65 12.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 0.0 112.387 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.484 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -93.59 -168.8 38.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.448 ' CG2' ' HD3' ' A' ' 20' ' ' PRO . 18.3 m -43.17 167.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.1 t -125.85 124.09 40.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.3 p -55.08 157.24 6.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 0.0 111.129 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 130.72 19.76 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.637 2.225 . . . . 0.0 112.327 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -38.55 133.99 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.443 HG22 ' CD2' ' A' ' 24' ' ' LEU . 79.1 t -118.74 77.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.32 139.55 54.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.1 p -145.44 141.78 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.3 ttm105 -90.86 125.29 35.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.431 ' CG2' ' CD1' ' A' ' 34' ' ' ILE . 3.8 p -73.29 154.45 40.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.9 mt -56.93 141.86 43.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.2 p -90.51 133.3 35.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -83.65 45.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.1 t -96.51 99.66 11.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -111.44 -143.93 9.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 135.5 30.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.357 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 82.5 p -141.93 146.85 36.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.7 t -78.81 90.89 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 t -114.65 -56.5 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m 61.99 41.69 10.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.34 104.8 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -172.68 143.32 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.366 . . . . 0.0 110.869 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -75.71 -65.63 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . 98.01 -115.63 5.33 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.544 ' N ' ' NE ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -36.45 153.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.842 -179.863 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.3 m -118.52 175.6 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -98.71 166.03 11.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.9 m -154.43 151.81 29.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.61 111.65 63.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -176.97 1.66 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.716 2.277 . . . . 0.0 112.329 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -90.95 -174.98 4.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.4 m -103.04 -35.83 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.45 ' HB2' ' ND2' ' A' ' 45' ' ' ASN . 8.7 pt20 -85.17 62.53 7.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.421 HD11 ' C ' ' A' ' 16' ' ' GLN . 1.4 mp -127.41 161.27 55.68 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.687 0.756 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.422 ' HD3' ' ND2' ' A' ' 92' ' ' ASN . 53.9 Cg_endo -69.78 -179.54 2.99 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.686 2.258 . . . . 0.0 112.345 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.28 168.73 13.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HD3' ' CG2' ' A' ' 98' ' ' VAL . 53.6 Cg_endo -69.77 132.84 24.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.42 112.24 5.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.554 0.693 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 23' ' ' ASN . 53.4 Cg_endo -69.77 -174.11 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.702 2.268 . . . . 0.0 112.34 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 22' ' ' PRO . 1.0 OUTLIER 33.99 51.6 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.1 tp -82.32 106.22 14.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 mmm-85 -111.77 162.3 15.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.422 ' CB ' HG13 ' A' ' 103' ' ' VAL . . . -160.95 126.64 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.509 ' CZ ' HG21 ' A' ' 35' ' ' THR . 23.3 p90 -144.46 145.52 31.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.406 ' CB ' ' HA ' ' A' ' 107' ' ' THR . . . -87.42 107.51 18.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.54 -35.56 70.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 m -137.65 160.81 63.57 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.665 0.745 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -1.94 9.31 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.643 2.229 . . . . 0.0 112.388 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.3 p -126.42 -16.6 5.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.8 m -130.21 169.35 15.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.455 HD13 ' CD1' ' A' ' 78' ' ' LEU . 94.1 mt -144.01 148.79 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.509 HG21 ' CZ ' ' A' ' 27' ' ' TYR . 78.4 m -117.73 117.03 28.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.3 t -111.99 134.97 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 46.5 p -132.03 130.36 41.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.601 ' CZ2' ' O ' ' A' ' 71' ' ' HIS . 39.7 p90 -129.66 169.09 15.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -115.75 164.54 14.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.4 m -86.1 130.96 48.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 111.142 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 108.56 2.12 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.707 2.271 . . . . 0.0 112.326 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.1 m -49.32 -20.81 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.159 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.5 t -89.89 157.97 17.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.23 159.01 7.75 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.539 ' ND2' ' CD2' ' A' ' 94' ' ' HIS . 14.3 p-10 -104.69 -44.64 4.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 110.858 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -102.02 -178.15 27.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -95.09 137.53 34.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.361 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.4 mm -68.06 112.83 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -79.15 -54.1 6.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -141.83 154.71 45.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -108.5 137.83 45.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -107.97 135.04 50.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.3 tp -131.67 115.5 16.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.551 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 1.5 m-85 -95.58 158.7 15.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -159.97 132.79 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.5 ptt? -158.68 162.1 37.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.404 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 19.6 tt0 -82.19 133.43 35.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -60.38 99.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.23 42.77 0.88 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.73 -32.31 1.48 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.747 0.308 . . . . 0.0 111.118 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 0.5 OUTLIER 67.84 26.43 7.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.48 75.67 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.0 149.59 49.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.551 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 69.8 mt-30 -121.69 175.1 6.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.02 130.79 15.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.9 m -128.12 141.05 47.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -84.31 116.36 22.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 69' ' ' SER . 62.2 t -117.7 152.15 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.413 ' N ' HG13 ' A' ' 68' ' ' VAL . 14.0 t -107.63 -37.51 6.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.6 m -95.52 155.17 16.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.601 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 71.5 m80 -60.61 -38.55 85.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.4 m -103.03 123.33 46.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -123.43 160.12 27.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 84.8 m -123.08 114.82 20.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.165 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.0 mt -95.06 114.77 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -108.38 150.76 26.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.99 55.95 1.55 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.455 ' CD1' HD13 ' A' ' 34' ' ' ILE . 65.8 mt -123.92 174.06 7.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.894 0.378 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -80.77 154.11 27.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -82.83 144.97 29.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.46 ' CE1' ' HD3' ' A' ' 106' ' ' ARG . 53.5 t80 42.11 46.05 3.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 34.5 m -127.87 136.81 51.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.174 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -70.66 148.53 47.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.404 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 35.8 m-85 -149.0 130.52 14.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 t -83.05 155.59 23.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -150.93 142.25 23.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.453 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 4.4 ptp180 -151.17 161.02 43.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.1 t -130.73 133.0 63.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.173 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 94.0 t -123.37 135.7 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.93 126.22 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.539 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 39.3 m-85 -117.23 106.94 13.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.422 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 51.4 p-10 -118.71 177.62 4.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -45.88 -49.25 15.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.539 ' CD2' ' ND2' ' A' ' 45' ' ' ASN . 28.6 m-70 -55.59 -65.22 0.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 166.85 -179.85 40.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.539 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.0 Cg_endo -69.75 109.7 2.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.652 2.235 . . . . 0.0 112.377 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -80.09 -164.06 29.16 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.454 ' CG2' ' HD3' ' A' ' 20' ' ' PRO . 24.9 m -46.37 168.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.827 0.346 . . . . 0.0 111.145 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.4 t -126.73 131.18 51.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.7 p -57.7 158.09 12.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.552 0.691 . . . . 0.0 111.138 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 131.22 20.77 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.62 146.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.422 HG13 ' CB ' ' A' ' 26' ' ' ALA . 77.4 t -126.33 78.84 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.37 126.14 28.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.3 p -137.26 146.37 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.46 ' HD3' ' CE1' ' A' ' 81' ' ' TYR . 37.3 ttm-85 -100.77 123.0 44.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.406 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 6.3 p -62.98 174.77 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 28.6 mt -75.04 150.99 38.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.0 p -90.9 134.89 34.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -105.58 -55.54 2.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 112' ' ' GLY . 11.1 t -86.16 132.68 33.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.818 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 111' ' ' SER . . . -36.54 146.6 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.521 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 114' ' ' SER . 53.3 Cg_endo -69.75 125.2 11.87 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.707 2.271 . . . . 0.0 112.286 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 113' ' ' PRO . 72.1 p 34.42 42.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.3 t -51.71 127.39 20.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.819 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.1 t -171.36 157.12 4.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.3 p -132.07 -50.19 0.95 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.18 -166.68 14.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.5 m -149.85 177.33 9.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.817 0.341 . . . . 0.0 110.887 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 t -170.05 163.7 9.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.82 51.04 0.38 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -111.34 41.44 1.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.928 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -106.04 40.11 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -86.7 156.83 19.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.3 m -110.24 111.8 23.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.161 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -138.18 145.72 48.69 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -174.93 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.342 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -64.61 137.8 58.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.8 m -120.91 165.01 16.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.088 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -75.69 101.41 5.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.466 ' HB3' ' CA ' ' A' ' 97' ' ' GLY . 39.2 mt -151.42 155.7 34.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 165.88 29.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.46 169.29 25.98 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ALA . 53.3 Cg_endo -69.78 111.6 2.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.231 . . . . 0.0 112.326 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' PRO . . . -34.86 115.32 0.51 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 0.0 111.097 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 173.5 10.89 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.367 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.9 m120 47.31 49.62 15.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 tp -84.54 103.94 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -113.47 158.45 20.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.78 129.91 10.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -145.4 145.28 31.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 107' ' ' THR . . . -84.07 100.7 11.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.77 -46.09 83.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -130.03 162.35 54.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.691 0.758 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -3.76 12.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.745 2.296 . . . . 0.0 112.335 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.9 p -130.52 9.08 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -147.98 171.88 15.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.467 HD12 ' CG2' ' A' ' 107' ' ' THR . 80.8 mt -151.54 125.3 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.5 m -100.35 127.32 46.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.8 t -118.16 127.95 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.1 p -121.12 143.3 49.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 45.1 p90 -145.82 -178.65 6.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -122.29 166.26 14.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.418 HG23 ' N ' ' A' ' 41' ' ' PRO . 74.9 m -84.34 134.62 42.62 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.537 0.684 . . . . 0.0 111.189 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.418 ' N ' HG23 ' A' ' 40' ' ' THR . 53.6 Cg_endo -69.79 145.48 57.12 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.2 m -75.37 55.59 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.15 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 44' ' ' GLY . 58.0 m 47.65 54.95 9.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 43' ' ' SER . . . -33.79 -44.66 0.34 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.432 ' ND2' ' CD2' ' A' ' 94' ' ' HIS . 11.7 t30 -128.43 -54.88 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -142.02 -112.54 0.92 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -118.77 149.94 40.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.1 mm -90.39 138.82 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -98.95 -57.7 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -144.14 172.45 12.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -122.29 118.84 29.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' HE2' ' CE1' ' A' ' 91' ' ' TYR . 5.0 tppt? -95.78 129.69 42.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.6 tp -114.87 123.69 49.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.936 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.442 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 2.3 m-85 -104.84 154.32 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -160.27 130.54 5.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -156.23 154.92 31.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -82.02 130.73 35.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.17 96.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.89 39.09 0.67 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.444 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.82 -27.77 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 111.167 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 63.96 26.4 14.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -147.74 110.75 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -106.11 151.04 25.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -117.22 169.96 9.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -130.84 128.79 41.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.1 m -120.16 136.43 57.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.52 120.92 17.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.3 t -127.67 127.72 68.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.6 m -116.51 49.92 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.4 p -163.07 167.08 22.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -79.12 -23.76 43.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 94.0 p -130.83 127.57 38.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -131.01 143.73 50.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 87.3 m -112.96 127.35 56.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.11 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.8 mt -107.33 111.47 35.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.02 155.42 17.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.78 47.88 2.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.8 mt -121.86 157.56 30.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.871 0.367 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -71.82 156.65 39.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.64 145.73 28.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.491 ' CD1' ' HB2' ' A' ' 109' ' ' SER . 4.0 t80 48.75 44.33 21.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.8 m -128.43 128.49 44.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -70.22 147.66 49.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -146.23 131.15 18.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 t -83.2 155.27 23.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -149.52 136.98 20.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.442 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 12.0 ptp180 -151.17 134.12 15.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.426 HG11 ' N ' ' A' ' 89' ' ' VAL . 88.8 t -104.99 135.44 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.426 ' N ' HG11 ' A' ' 88' ' ' VAL . 88.8 t -117.34 129.72 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.53 114.24 23.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.067 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 41.6 m-85 -99.2 108.01 20.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -107.8 158.97 16.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -39.6 -32.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.432 ' CD2' ' ND2' ' A' ' 45' ' ' ASN . 16.2 m-70 -75.47 -63.4 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.46 172.77 45.56 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.553 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.1 Cg_endo -69.78 86.79 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.466 ' CA ' ' HB3' ' A' ' 17' ' ' LEU . . . -50.6 -179.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.3 m -41.86 163.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 111.118 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.9 t -123.98 136.68 54.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.1 p -51.81 153.31 4.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.708 . . . . 0.0 111.151 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 102' ' ' ASP . 53.7 Cg_endo -69.8 131.0 20.27 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 101' ' ' PRO . 4.5 p-10 -33.74 133.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.455 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 41.3 t -120.32 75.37 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.98 142.8 58.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.4 p -150.02 144.38 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.2 ttm-85 -95.97 131.25 42.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.467 ' CG2' HD12 ' A' ' 34' ' ' ILE . 15.8 p -80.26 165.24 22.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.8 mt -69.27 139.73 54.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.491 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 40.0 t -93.05 119.06 31.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -62.29 106.59 0.77 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 95.6 p -83.25 -47.92 11.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 161.96 -80.65 0.14 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 100.69 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.67 2.247 . . . . 0.0 112.384 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 115' ' ' SER . 2.0 m -77.46 145.64 36.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 114' ' ' SER . 1.2 t 36.16 42.09 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p 45.78 42.29 8.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.879 0.371 . . . . 0.0 110.887 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 m 50.28 41.74 24.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.92 112.75 4.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -136.65 150.43 48.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.851 0.357 . . . . 0.0 110.859 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -162.52 105.55 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.789 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.32 74.6 1.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -80.36 98.27 7.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.3 m -96.68 137.16 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 12' ' ' GLN . 10.7 tt0 -96.59 -10.24 27.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 10' ' ' GLU . 32.2 p 34.02 34.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 10' ' ' GLU . 9.3 pt20 -38.66 107.47 0.42 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.617 0.722 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 174.84 8.96 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -51.66 172.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.7 m -89.81 62.99 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -129.76 43.16 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.522 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 4.5 mm? -110.31 161.35 24.88 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.629 0.728 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.468 ' HD2' ' CD1' ' A' ' 17' ' ' LEU . 53.6 Cg_endo -69.75 170.75 15.84 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.734 2.289 . . . . 0.0 112.355 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.0 171.36 29.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.47 ' HD3' ' CG2' ' A' ' 98' ' ' VAL . 53.5 Cg_endo -69.79 123.92 10.56 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.661 2.24 . . . . 0.0 112.351 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.58 110.4 2.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.526 0.679 . . . . 0.0 111.08 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -178.51 2.34 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.648 2.232 . . . . 0.0 112.383 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.471 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 22.9 m120 44.38 47.26 8.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.5 tp -80.92 103.8 10.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.971 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -111.9 158.05 19.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.56 127.1 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CE2' ' HB ' ' A' ' 35' ' ' THR . 17.7 p90 -143.02 141.45 31.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.17 104.62 9.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.01 -29.35 62.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 m -151.46 159.29 33.63 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.663 0.744 . . . . 0.0 110.846 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 3.37 2.8 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.9 p -129.5 -8.3 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.42 ' C ' HG13 ' A' ' 34' ' ' ILE . 1.8 p -139.5 176.78 8.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.42 HG13 ' C ' ' A' ' 33' ' ' SER . 95.4 mt -151.0 122.54 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.501 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 99.1 m -91.58 125.56 36.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 39.8 t -122.3 133.46 68.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.4 p -126.23 130.29 50.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.54 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 41.2 p90 -131.43 166.64 20.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.471 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 47.1 mm-40 -116.03 165.12 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.409 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 87.2 m -85.81 136.59 36.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.537 0.684 . . . . 0.0 111.147 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.409 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.81 117.22 4.96 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.315 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.412 HG23 ' N ' ' A' ' 43' ' ' SER . 23.3 m -50.86 -38.16 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.412 ' N ' HG23 ' A' ' 42' ' ' VAL . 38.5 m -89.81 132.23 35.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.24 134.03 2.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.507 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -56.34 -41.92 76.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.04 172.77 27.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -60.3 134.67 57.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.821 0.344 . . . . 0.0 110.931 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.473 ' CD1' ' OD1' ' A' ' 92' ' ' ASN . 19.1 mm -64.77 136.07 27.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.127 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -85.94 -55.25 4.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -146.49 163.43 35.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -112.67 136.36 52.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.427 ' HE2' ' CE1' ' A' ' 91' ' ' TYR . 1.3 tppt? -109.42 129.81 55.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.4 tp -124.72 106.24 9.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.425 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 3.1 m-85 -86.8 159.04 19.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -158.43 136.41 10.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -156.9 161.57 39.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -84.72 135.8 33.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -59.24 103.15 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.8 38.93 1.49 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.535 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -128.49 -39.34 1.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.763 0.316 . . . . 0.0 111.144 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.2 t0 72.48 28.46 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -149.99 108.56 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -110.14 161.35 15.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -116.61 -176.33 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.59 131.02 35.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.421 ' O ' ' CG2' ' A' ' 66' ' ' VAL . 15.6 m -124.46 116.8 48.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.68 118.65 12.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.434 HG22 ' CG ' ' A' ' 73' ' ' TYR . 86.1 t -121.54 146.61 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.8 p -100.21 -39.21 8.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.1 m -83.04 162.16 21.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.54 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 13.2 m80 -64.15 -37.81 88.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.6 t -109.45 152.38 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.434 ' CG ' HG22 ' A' ' 68' ' ' VAL . 64.8 t80 -151.09 156.33 40.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.4 m -119.08 122.49 42.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.6 mt -100.55 104.0 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.099 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.26 172.3 8.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.05 50.21 4.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.2 mt -125.22 176.54 6.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.92 0.39 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -83.08 161.45 21.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -87.85 137.67 32.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.555 ' CE1' ' HD3' ' A' ' 106' ' ' ARG . 6.7 t80 52.04 46.25 26.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.464 HG23 ' N ' ' A' ' 83' ' ' GLU . 28.2 m -126.91 143.57 51.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.174 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.464 ' N ' HG23 ' A' ' 82' ' ' THR . 17.0 tt0 -77.32 151.27 35.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -153.0 132.1 12.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 t -86.23 159.73 19.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -153.61 139.85 18.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.425 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 6.8 ptp180 -148.09 132.07 17.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 71.5 t -99.5 126.54 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.5 t -121.27 129.84 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.0 127.23 35.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 29.5 m-85 -112.58 106.91 15.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.473 ' OD1' ' CD1' ' A' ' 48' ' ' ILE . 10.2 m-20 -100.48 164.7 11.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -40.29 -29.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.455 ' N ' ' HG2' ' A' ' 93' ' ' LYS . 48.3 m-70 -75.53 -51.79 12.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.522 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 160.76 -166.2 35.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.45 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.5 Cg_endo -69.78 125.06 11.7 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.479 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -94.53 -162.53 35.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.47 ' CG2' ' HD3' ' A' ' 20' ' ' PRO . 30.4 m -41.98 165.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 0.0 111.113 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.1 t -123.99 119.25 29.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 p -56.79 157.26 10.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.514 0.673 . . . . 0.0 111.188 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 130.39 19.31 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.731 2.288 . . . . 0.0 112.346 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.22 145.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 76.5 t -130.7 79.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.09 138.62 47.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.6 p -150.49 147.03 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.555 ' HD3' ' CE1' ' A' ' 81' ' ' TYR . 34.1 ttm-85 -95.37 130.2 42.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.5 p -72.01 176.49 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 23.0 mt -83.55 156.63 22.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.4 t -106.71 143.88 34.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -99.16 -46.95 5.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.1 m -119.92 -57.47 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 62.68 176.58 3.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 1.89 3.99 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.2 p -42.43 160.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 69.2 p -106.52 -41.95 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.461 -179.936 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 p -163.83 109.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.362 . . . . 0.0 110.828 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.4 p -43.94 -36.97 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.95 -137.08 2.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 m 40.59 46.16 2.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 110.835 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.6 p -103.14 144.66 31.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.96 41.94 1.22 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.466 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.1 mmm-85 -128.59 151.11 49.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.918 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.6 m -82.62 115.99 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.444 ' CD ' ' C ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -144.4 112.02 6.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 t -157.2 139.06 14.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.165 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -73.84 137.7 76.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.636 0.731 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 4.36 2.27 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.686 2.257 . . . . 0.0 112.293 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -89.76 124.21 34.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.9 t -117.11 50.88 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -98.97 43.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.537 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 4.4 mm? -107.74 157.58 35.57 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.723 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.489 ' HD2' ' CD1' ' A' ' 17' ' ' LEU . 53.9 Cg_endo -69.76 156.08 64.25 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.66 172.78 50.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.83 52.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.648 2.232 . . . . 0.0 112.392 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.93 115.92 41.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.582 0.706 . . . . 0.0 111.08 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -176.16 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.636 2.224 . . . . 0.0 112.329 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.415 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 23.9 m120 39.33 50.27 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.9 tp -85.7 101.22 12.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -109.92 163.36 13.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.433 ' HB2' ' CG1' ' A' ' 103' ' ' VAL . . . -158.82 129.6 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -150.18 142.24 23.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.55 112.19 19.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.39 -27.32 38.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.059 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 m -141.66 157.3 65.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.699 0.762 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -1.28 8.22 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.364 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.5 p -129.1 -6.45 4.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.162 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -138.79 172.14 13.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.461 HD11 ' CD1' ' A' ' 78' ' ' LEU . 97.1 mt -146.98 142.64 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.4 ' N ' HG23 ' A' ' 34' ' ' ILE . 79.0 m -111.21 126.0 54.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.2 t -120.04 134.28 64.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.8 p -130.5 139.65 50.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 30.4 p90 -141.99 179.57 6.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.415 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 4.7 mm-40 -126.03 165.21 19.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.0 m -85.43 134.06 41.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 118.51 5.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 2.229 . . . . 0.0 112.33 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.422 ' CG2' ' N ' ' A' ' 43' ' ' SER . 15.8 m -60.5 -45.08 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.422 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 74.4 m -93.75 130.92 39.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -172.8 -159.27 19.06 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -128.88 98.48 4.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.45 -158.25 35.55 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.538 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -101.52 146.92 27.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.9 mm -81.25 132.7 30.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -86.93 -65.75 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.94 161.89 34.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -115.38 122.99 47.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.43 141.99 28.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.845 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.6 tp -134.64 130.99 37.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.447 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 4.4 m-85 -111.41 162.81 14.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -160.56 131.98 5.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -151.94 162.1 41.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -90.59 130.87 36.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -54.94 98.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.17 32.92 1.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.506 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -123.55 -26.83 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 60.43 31.03 20.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -157.89 112.5 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -108.19 158.06 17.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.447 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 21.2 mm100 -109.89 -177.91 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.94 132.48 32.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.1 m -129.23 140.44 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -73.35 132.63 43.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 85.2 t -138.83 129.23 33.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.2 m -121.89 44.25 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.821 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.5 p -163.98 165.28 22.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -83.44 9.61 10.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 94.8 p -147.69 132.06 17.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -141.54 156.08 45.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 34.7 m -131.66 121.21 23.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 77.0 mt -100.09 120.72 49.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -111.95 159.47 18.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.63 51.12 2.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.461 ' CD1' HD11 ' A' ' 34' ' ' ILE . 54.0 mt -121.78 173.79 7.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.863 0.364 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -83.66 165.79 18.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -90.16 142.78 27.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.7 t80 48.24 49.28 17.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.2 m -131.35 145.65 51.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -81.91 152.88 26.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -151.67 129.59 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 t -84.61 154.51 22.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -147.22 138.47 23.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -148.57 139.67 23.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.0 t -108.23 141.74 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.4 t -133.31 131.28 57.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.09 130.37 34.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 34.9 m-85 -118.65 120.45 37.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -127.25 168.26 14.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.432 ' HE3' ' CE1' ' A' ' 94' ' ' HIS . 29.3 pttt -39.7 -44.53 1.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.432 ' CE1' ' HE3' ' A' ' 93' ' ' LYS . 12.2 m-70 -61.78 -60.53 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 164.9 -175.81 40.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.449 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.4 Cg_endo -69.73 129.25 17.3 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.386 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.487 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -90.03 -150.85 24.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 20.0 m -60.54 -179.8 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.4 t -135.91 115.19 12.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -47.67 160.37 0.39 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.641 0.734 . . . . 0.0 111.086 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 134.06 27.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -44.08 133.71 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.433 ' CG1' ' HB2' ' A' ' 26' ' ' ALA . 73.8 t -117.37 83.53 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -78.02 137.72 38.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.111 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.3 p -149.9 145.59 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.5 ttm-85 -95.26 133.07 39.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.7 p -76.98 171.23 15.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.1 mt -74.2 153.52 39.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.8 t -105.56 119.44 39.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -84.36 97.9 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 m -118.14 43.38 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.05 -158.02 48.33 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 92.73 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.674 2.249 . . . . 0.0 112.333 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.5 t -104.19 109.62 21.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.9 t -141.88 126.01 17.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.509 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.465 HD23 ' HA2' ' A' ' 97' ' ' GLY . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.609 0.719 . . . . 0.0 110.899 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.494 ' CG ' ' HB3' ' A' ' 90' ' ' ALA . 53.9 Cg_endo -69.72 161.66 45.07 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.716 2.278 . . . . 0.0 112.331 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.91 176.68 27.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.507 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.728 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.4 Cg_endo -69.76 130.89 20.12 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -68.11 113.39 14.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.546 0.689 . . . . 0.0 111.108 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -177.37 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.4 m120 42.73 51.25 5.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.6 tp -89.8 102.79 15.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.1 mmm-85 -116.3 156.91 25.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.91 127.2 9.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -141.73 140.84 33.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.68 101.22 6.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.81 -21.36 62.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -156.94 160.8 30.47 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.666 0.746 . . . . 0.0 110.843 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -3.82 12.8 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.636 2.224 . . . . 0.0 112.356 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.42 HG22 ' HE3' ' A' ' 80' ' ' LYS . 60.6 p -130.9 1.55 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.79 169.05 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.458 HD11 HG23 ' A' ' 107' ' ' THR . 95.9 mt -150.2 134.37 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 45.9 m -104.98 130.56 53.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.6 t -123.61 127.7 74.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.2 p -123.25 131.41 53.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 44.5 p90 -138.96 167.77 21.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.554 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 9.7 mm-40 -117.43 165.34 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.671 HG23 ' HD2' ' A' ' 41' ' ' PRO . 90.1 m -85.56 138.79 35.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.613 0.72 . . . . 0.0 111.152 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.9 Cg_endo -69.75 132.13 22.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.92 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.681 HD12 ' HB1' ' A' ' 90' ' ' ALA . 21.5 mm . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.776 0.322 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -54.89 -57.95 9.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -149.94 151.22 33.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -96.66 121.95 39.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -92.47 116.05 28.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.678 ' O ' HG22 ' A' ' 66' ' ' VAL . 27.5 tp -106.88 108.59 20.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.437 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 2.2 m-85 -86.06 154.86 21.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -159.52 133.13 7.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -155.76 161.55 40.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -91.0 134.14 34.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -55.46 100.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.59 37.1 1.34 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.448 ' O ' ' CG ' ' A' ' 61' ' ' ASP . 0.6 OUTLIER -126.41 -26.38 3.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.325 . . . . 0.0 111.14 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 60' ' ' THR . 1.2 p30 53.28 25.28 4.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -131.86 70.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -61.62 152.75 29.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -124.78 -174.84 3.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -152.83 135.81 15.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 53' ' ' LEU . 29.3 m -128.45 137.46 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -71.7 124.43 24.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.515 HG12 ' H ' ' A' ' 70' ' ' SER . 42.4 t -143.78 136.99 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.2 p -125.45 39.07 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.515 ' H ' HG12 ' A' ' 68' ' ' VAL . 13.7 p -143.08 169.88 16.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -95.88 24.27 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.1 p -169.59 120.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -135.44 145.34 47.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.4 m -115.43 125.41 53.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.134 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.7 mt -103.5 106.87 20.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.171 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -94.6 -179.98 5.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.27 51.98 19.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.8 mt -126.88 164.6 21.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.892 0.377 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -74.16 168.91 18.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.42 ' HE3' HG22 ' A' ' 32' ' ' THR . 0.6 OUTLIER -100.06 129.07 46.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.469 ' CD1' ' HB2' ' A' ' 109' ' ' SER . 22.9 t80 70.63 25.11 4.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.9 m -108.7 144.72 36.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.182 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -83.64 151.11 25.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -150.72 127.51 10.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 t -82.76 151.01 26.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -145.28 139.36 27.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.437 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 9.8 ptp180 -150.57 138.12 19.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 98.8 t -102.51 142.93 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.8 t -138.26 135.61 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.681 ' HB1' HD12 ' A' ' 48' ' ' ILE . . . -90.8 123.83 34.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.489 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 28.7 m-85 -114.1 112.86 23.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -125.26 171.61 10.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 94' ' ' HIS . 7.0 pttm -43.91 -43.03 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 93' ' ' LYS . 98.0 m-70 -60.53 -69.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 169.5 172.81 36.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.425 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.489 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.8 Cg_endo -69.76 105.42 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.372 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.465 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -75.15 -167.01 19.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.728 HG21 ' HD3' ' A' ' 20' ' ' PRO . 18.8 m -41.04 160.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.342 . . . . 0.0 111.187 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.8 t -121.72 133.97 54.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.85 160.45 15.31 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.586 0.708 . . . . 0.0 111.142 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 138.08 37.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.651 2.234 . . . . 0.0 112.385 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -49.42 138.91 12.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.3 t -122.01 87.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.98 135.96 35.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.5 p -148.38 138.28 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.6 ttm-85 -90.72 137.59 32.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.458 HG23 HD11 ' A' ' 34' ' ' ILE . 14.9 p -78.79 166.44 22.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 51.0 mt -68.43 146.68 52.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.469 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 15.2 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.626 HD23 ' HA2' ' A' ' 97' ' ' GLY . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.591 0.71 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 172.21 13.07 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.679 2.253 . . . . 0.0 112.316 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.79 175.22 24.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.56 ' HD3' HG21 ' A' ' 98' ' ' VAL . 54.1 Cg_endo -69.76 130.58 19.59 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.266 . . . . 0.0 112.338 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -54.59 115.28 8.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.517 0.675 . . . . 0.0 111.073 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -178.32 2.29 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 40.95 49.23 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.455 ' CD2' HG21 ' A' ' 103' ' ' VAL . 26.8 tp -76.26 102.02 5.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.77 133.19 45.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.7 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -132.59 133.61 43.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -132.38 137.29 47.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.72 109.45 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.82 -27.93 63.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -150.99 161.64 29.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.683 0.754 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 0.53 5.5 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.319 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.0 p -129.69 -2.58 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.3 p -141.43 174.57 10.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.602 HD11 HG23 ' A' ' 107' ' ' THR . 96.2 mt -151.33 132.17 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.3 m -104.82 98.59 8.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.7 HG13 ' HB2' ' A' ' 26' ' ' ALA . 18.7 t -88.11 137.67 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.1 p -126.38 156.44 40.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.631 ' CG ' HG21 ' A' ' 88' ' ' VAL . 48.2 p90 -163.06 158.13 21.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.556 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 15.6 mm-40 -109.14 165.07 11.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.455 HG23 ' HD2' ' A' ' 41' ' ' PRO . 87.6 m -85.94 133.5 41.15 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.592 0.711 . . . . 0.0 111.13 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.455 ' HD2' HG23 ' A' ' 40' ' ' THR . 54.1 Cg_endo -69.72 109.86 2.41 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.235 . . . . 0.0 112.387 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.8 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.157 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.433 HD12 ' HB1' ' A' ' 90' ' ' ALA . 13.0 mm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.805 0.336 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -80.69 -46.46 15.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -159.19 165.77 32.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -116.2 117.49 30.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.403 ' HE2' ' CE1' ' A' ' 91' ' ' TYR . 2.1 tppt? -91.38 118.1 30.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.839 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.634 ' O ' HG22 ' A' ' 66' ' ' VAL . 14.6 tp -108.09 122.81 47.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 1.9 m-85 -103.79 156.28 17.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.477 ' CG ' HD13 ' A' ' 75' ' ' ILE . 18.7 p90 -158.61 133.55 8.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -152.43 160.62 43.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.826 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -89.84 133.53 34.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -57.25 98.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 116.7 39.26 0.85 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.478 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.51 -29.21 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 111.14 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.0 t0 65.43 31.82 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -151.0 115.29 5.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -97.22 152.11 19.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.596 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 68.2 mt-30 -116.1 -179.49 3.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -150.06 138.04 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 53' ' ' LEU . 5.0 m -133.8 148.8 30.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -84.66 123.55 30.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.406 HG11 ' HB2' ' A' ' 73' ' ' TYR . 7.4 t -130.09 129.68 65.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.8 m -97.02 -23.26 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -101.94 165.76 11.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -82.69 12.75 4.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.1 p -150.64 118.04 6.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.406 ' HB2' HG11 ' A' ' 68' ' ' VAL . 66.3 t80 -123.91 157.84 33.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.9 m -127.2 121.72 32.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.477 HD13 ' CG ' ' A' ' 55' ' ' TYR . 80.8 mt -99.33 122.39 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -108.39 158.21 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.47 51.05 2.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.0 mt -126.89 167.55 15.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -83.22 160.33 21.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -83.04 136.23 34.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.6 t80 58.69 43.36 18.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.2 m -122.57 136.91 55.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -77.14 149.29 35.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -148.76 127.45 12.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -83.0 138.67 33.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -135.64 138.16 42.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -146.31 131.65 18.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.631 HG21 ' CG ' ' A' ' 38' ' ' TRP . 25.6 t -96.67 142.12 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 84.8 t -133.24 131.3 58.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.433 ' HB1' HD12 ' A' ' 48' ' ' ILE . . . -87.45 131.79 34.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 19.6 m-85 -122.04 117.66 26.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.2 p-10 -134.88 167.4 20.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -39.58 -39.92 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.401 ' CD2' ' HD2' ' A' ' 93' ' ' LYS . 43.6 m80 -60.83 -67.43 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 166.23 172.85 34.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.571 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.3 Cg_endo -69.75 97.69 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.626 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -65.02 -169.33 2.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.56 HG21 ' HD3' ' A' ' 20' ' ' PRO . 10.9 m -47.11 175.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.4 t -127.38 135.86 51.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.55 157.94 12.56 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.569 0.699 . . . . 0.0 111.133 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 132.86 24.31 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.357 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -38.8 133.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.455 HG21 ' CD2' ' A' ' 24' ' ' LEU . 57.7 t -118.87 83.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -78.34 124.75 28.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.9 p -134.15 144.31 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 106' ' ' ARG . 13.4 ttm105 -93.11 130.79 38.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.602 HG23 HD11 ' A' ' 34' ' ' ILE . 14.3 p -75.36 174.0 10.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 45.2 mt -78.6 150.97 32.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.831 -179.922 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.469 HD23 ' HA2' ' A' ' 97' ' ' GLY . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.419 ' HD3' ' ND2' ' A' ' 92' ' ' ASN . 53.8 Cg_endo -69.69 -172.61 0.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.72 2.28 . . . . 0.0 112.382 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -124.22 175.98 16.94 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.569 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.8 Cg_endo -69.8 121.88 8.56 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.678 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -54.09 118.5 15.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 0.0 111.058 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -175.16 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.695 2.264 . . . . 0.0 112.303 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.458 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 28.7 m120 39.4 49.98 1.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.4 tp -83.37 101.29 11.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.76 148.23 36.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.35 127.05 12.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -143.65 151.86 40.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.4 ' CB ' ' HA ' ' A' ' 107' ' ' THR . . . -86.28 105.83 16.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.96 -9.11 58.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.077 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -169.9 161.13 6.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.673 0.749 . . . . 0.0 110.859 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -2.37 10.06 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.0 p -130.36 -4.05 4.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.1 p -135.62 170.59 15.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.653 HD11 HG23 ' A' ' 107' ' ' THR . 37.1 mt -154.07 119.93 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.5 m -90.44 135.89 33.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.8 t -130.75 121.49 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.471 HG22 ' HB2' ' A' ' 72' ' ' SER . 22.3 p -119.23 137.59 53.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.483 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 49.7 p90 -141.6 172.14 13.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.678 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 65.3 mm-40 -119.01 165.01 14.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.4 m -85.88 131.61 46.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.566 0.698 . . . . 0.0 111.174 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 115.47 4.11 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.674 2.249 . . . . 0.0 112.379 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.3 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.116 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.0 mm . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.742 0.306 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -102.08 -46.08 4.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -155.01 154.02 31.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -107.03 121.16 43.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.1 tptt -90.8 110.54 21.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.7 tp -104.08 120.83 41.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.532 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 6.0 m-85 -100.41 157.13 16.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -162.06 134.48 5.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -156.61 162.35 39.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 58' ' ' LYS . 26.0 tt0 -91.65 100.63 13.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 57' ' ' GLU . 14.3 tptt -33.68 101.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 128.12 -0.09 6.52 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.72 -27.87 11.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.811 0.339 . . . . 0.0 111.194 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.13 25.08 15.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -121.04 71.61 0.95 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -61.87 145.67 52.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.532 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 45.5 mt-30 -126.44 179.47 5.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 p30 -147.62 139.78 24.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 66' ' ' VAL . 5.4 m -133.94 131.07 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.49 121.45 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 69' ' ' SER . 72.2 t -119.47 155.37 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.451 ' N ' HG12 ' A' ' 68' ' ' VAL . 47.5 t -116.3 -35.81 4.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -89.3 165.35 14.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.483 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 20.0 m80 -69.32 -24.2 63.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.471 ' HB2' HG22 ' A' ' 37' ' ' THR . 28.9 p -124.88 141.0 52.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -138.03 142.7 40.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.7 m -112.35 125.39 54.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 69.0 mt -99.53 134.33 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.65 158.42 24.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.09 56.83 1.99 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.0 mt -128.86 161.88 28.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.871 0.367 . . . . 0.0 110.918 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -73.8 174.5 8.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -104.88 137.77 42.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.581 ' CD1' ' HB2' ' A' ' 109' ' ' SER . 5.2 t80 59.38 44.3 15.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.7 m -130.4 142.63 50.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.129 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -75.53 151.87 37.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -148.45 126.26 11.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 t -86.38 146.29 26.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -143.36 137.41 28.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.413 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 25.9 ptt180 -148.72 133.3 17.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 80.0 t -103.06 145.03 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 41.3 t -136.88 137.12 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.31 132.84 33.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.54 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 16.4 m-85 -122.79 114.24 20.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 94' ' ' HIS . 43.8 p-10 -126.01 155.1 41.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 92' ' ' ASN . 24.2 pttt -35.33 -34.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 92' ' ' ASN . 10.6 m80 -66.75 -56.61 9.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 158.14 166.04 16.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.54 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.4 Cg_endo -69.81 115.35 4.06 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.301 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.469 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -74.68 -140.35 0.66 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.569 HG21 ' HD3' ' A' ' 20' ' ' PRO . 18.0 m -69.68 -177.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 111.178 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.4 t -135.45 124.94 24.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.1 p -50.54 156.07 1.65 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.089 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 131.16 20.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.363 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -39.08 130.57 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.1 t -116.44 85.17 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.88 132.43 40.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.87 138.81 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -92.82 131.92 37.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.653 HG23 HD11 ' A' ' 34' ' ' ILE . 11.5 p -75.83 172.57 12.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.6 mt -77.57 146.01 36.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.581 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 4.3 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.449 HD23 ' HA2' ' A' ' 97' ' ' GLY . 1.3 mp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.647 0.737 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.489 ' HB3' ' CD1' ' A' ' 48' ' ' ILE . 53.8 Cg_endo -69.76 -176.27 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.71 177.94 16.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 128.71 16.46 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.387 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -58.34 110.22 2.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.733 . . . . 0.0 111.094 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -178.39 2.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.5 m120 43.41 43.95 4.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.529 ' CD2' HG21 ' A' ' 103' ' ' VAL . 27.7 tp -77.12 105.67 8.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -133.78 130.25 37.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.89 140.77 52.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -143.39 137.07 28.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.01 105.9 11.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.088 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.28 -27.08 64.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 m -147.69 160.18 39.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.658 0.742 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -5.05 15.28 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.659 2.239 . . . . 0.0 112.378 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.3 p -124.34 -6.91 7.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.8 m -143.57 153.99 43.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.571 HD11 HG23 ' A' ' 107' ' ' THR . 96.2 mt -130.4 151.38 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.6 m -117.73 99.34 6.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -89.86 131.32 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.62 155.85 40.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.485 ' HB3' HD12 ' A' ' 24' ' ' LEU . 48.6 p90 -162.85 165.2 25.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.417 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 24.8 mm-40 -113.49 165.13 12.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.5 m -85.89 132.67 43.28 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.579 0.704 . . . . 0.0 111.146 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 120.17 7.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.751 HD13 HD21 ' A' ' 92' ' ' ASN . 26.1 mm . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.814 0.34 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -73.34 -59.67 2.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -136.82 170.24 16.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -126.19 132.78 51.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.479 ' HD2' ' CE1' ' A' ' 91' ' ' TYR . 15.8 tttt -108.96 127.04 53.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.7 tp -118.62 134.58 55.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.957 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.498 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 19.2 m-85 -111.23 161.45 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.407 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 26.5 p90 -159.43 126.69 4.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -150.45 160.68 43.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -87.87 133.31 33.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -55.65 99.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.66 30.08 1.92 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.496 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.14 -31.23 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 111.107 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 63.23 25.31 14.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -149.99 105.02 3.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -104.65 157.53 17.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.498 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 47.8 mt-30 -112.27 -177.46 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.35 130.02 27.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 66' ' ' VAL . 31.0 m -121.5 126.98 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -71.93 119.36 16.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.1 t -126.03 151.85 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.7 p -111.28 -36.42 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.6 m -82.21 173.44 12.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -85.18 -26.35 26.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.6 p -118.12 117.4 29.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -111.31 155.83 22.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 89.6 m -123.54 109.43 13.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.2 mt -89.61 127.47 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -117.46 150.66 38.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.58 52.51 1.42 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.5 mt -126.87 161.11 29.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -73.05 172.99 10.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -98.47 137.56 36.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.937 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.2 t80 58.54 36.56 25.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.969 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.1 m -118.04 137.91 52.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.117 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -82.42 150.58 27.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -149.07 132.68 16.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.9 t -83.17 138.21 33.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.835 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -134.14 137.17 44.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -145.13 143.73 30.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 71.4 t -111.34 133.68 56.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 88.9 t -121.8 140.8 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -96.82 138.24 34.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.552 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 27.3 m-85 -129.57 122.05 28.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.751 HD21 HD13 ' A' ' 48' ' ' ILE . 27.1 m-20 -130.45 171.95 12.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.54 -41.59 41.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -62.38 -60.01 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 165.52 170.67 30.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.552 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.6 Cg_endo -69.73 113.44 3.37 Favored 'Trans proline' 0 C--O 1.231 0.125 0 C-N-CA 122.71 2.273 . . . . 0.0 112.36 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.449 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -72.54 -139.87 0.33 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.6 m -79.04 179.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 111.123 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.2 t -128.7 136.35 50.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.2 p -60.98 158.71 32.3 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.622 0.725 . . . . 0.0 111.131 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 131.06 20.43 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -38.94 132.37 1.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.529 HG21 ' CD2' ' A' ' 24' ' ' LEU . 71.7 t -118.01 79.75 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.59 135.83 47.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.5 p -144.02 146.13 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -102.37 127.04 49.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.571 HG23 HD11 ' A' ' 34' ' ' ILE . 18.8 p -69.49 178.48 2.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.178 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 25.1 mt -78.6 155.17 29.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.4 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.672 HD23 ' HA2' ' A' ' 97' ' ' GLY . 2.5 mp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.613 0.721 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 173.86 10.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.246 . . . . 0.0 112.328 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -107.88 172.11 16.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.535 ' HD3' HG21 ' A' ' 98' ' ' VAL . 54.1 Cg_endo -69.76 122.89 9.56 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.77 107.04 0.72 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 111.047 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -176.02 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.734 2.289 . . . . 0.0 112.346 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.459 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 26.3 m120 39.35 44.5 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 38' ' ' TRP . 19.7 tp -77.28 103.8 7.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -132.35 138.17 47.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.528 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -132.36 133.58 44.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -132.52 132.57 42.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.76 113.98 13.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.71 -27.82 36.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.5 m -146.31 160.61 41.83 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.644 0.735 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -8.6 24.02 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.733 2.289 . . . . 0.0 112.331 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.408 HG22 ' NZ ' ' A' ' 80' ' ' LYS . 20.0 p -125.51 0.94 7.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 m -147.27 149.1 32.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.552 HD11 HG23 ' A' ' 107' ' ' THR . 81.9 mt -130.22 147.56 33.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.3 m -116.53 96.8 5.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.528 HG13 ' HB2' ' A' ' 26' ' ' ALA . 21.0 t -84.13 137.9 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 p -128.0 155.72 43.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.474 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 48.9 p90 -162.04 160.8 27.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.459 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 20.5 mm-40 -107.72 165.12 11.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.421 HG23 ' HD2' ' A' ' 41' ' ' PRO . 76.4 m -85.98 133.05 41.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.63 0.729 . . . . 0.0 111.135 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.421 ' HD2' HG23 ' A' ' 40' ' ' THR . 54.2 Cg_endo -69.73 123.53 10.2 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.713 2.275 . . . . 0.0 112.382 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.655 HD13 ' OD1' ' A' ' 92' ' ' ASN . 17.0 mm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.751 0.31 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -60.42 -38.56 84.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -164.82 153.56 12.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -99.3 118.21 35.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.49 129.29 37.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.937 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.506 ' O ' HG22 ' A' ' 66' ' ' VAL . 21.5 tp -122.7 119.39 30.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.465 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 1.9 m-85 -100.46 157.86 16.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -161.04 128.67 4.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -149.2 161.82 41.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -90.27 129.09 36.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -53.44 100.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.24 34.6 1.44 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 m -121.64 -28.15 4.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.348 . . . . 0.0 111.188 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 64.01 29.08 14.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -147.18 106.66 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -88.94 146.16 25.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.465 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 68.3 mt-30 -113.67 179.2 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.954 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -149.13 133.26 17.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 53' ' ' LEU . 17.5 m -131.56 136.79 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -70.48 127.33 32.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.1 t -131.24 126.66 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 m -105.47 53.49 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -173.74 179.19 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -90.76 -24.07 20.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.7 p -128.38 118.44 23.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -117.28 163.75 15.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.9 m -129.13 117.78 21.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 97.7 mt -99.36 122.33 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -111.11 158.68 18.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.64 48.42 2.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.444 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 47.2 mt -124.43 170.11 11.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.909 0.385 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -82.43 175.43 10.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.408 ' NZ ' HG22 ' A' ' 32' ' ' THR . 0.4 OUTLIER -102.9 142.4 34.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.423 ' CD1' ' HB3' ' A' ' 109' ' ' SER . 3.3 t80 58.91 28.29 17.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.6 m -113.43 137.5 51.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.101 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -80.02 149.29 30.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -145.13 133.74 22.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 t -90.11 138.5 31.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -134.28 135.87 43.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -143.53 137.75 28.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.1 t -111.0 128.6 67.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 85.0 t -121.6 133.12 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.591 ' HB1' HD12 ' A' ' 48' ' ' ILE . . . -87.29 136.82 32.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.529 ' CE1' ' HB3' ' A' ' 96' ' ' PRO . 53.1 m-85 -123.77 108.63 12.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.655 ' OD1' HD13 ' A' ' 48' ' ' ILE . 34.1 m-20 -103.68 158.37 16.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -42.78 -29.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -76.49 -63.56 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 178.12 171.86 41.93 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.529 ' HB3' ' CE1' ' A' ' 91' ' ' TYR . 53.9 Cg_endo -69.73 113.67 3.45 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.672 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -65.52 -115.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.48 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.535 HG21 ' HD3' ' A' ' 20' ' ' PRO . 18.5 m -98.59 -175.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.168 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.8 t -132.84 123.11 25.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.2 156.2 7.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.592 0.711 . . . . 0.0 111.089 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 134.1 27.17 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.367 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -42.61 131.72 3.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.5 t -115.62 82.56 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.11 122.15 23.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.0 p -131.47 145.09 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.5 ttm-85 -102.1 131.75 48.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.552 HG23 HD11 ' A' ' 34' ' ' ILE . 10.6 p -72.7 179.98 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.79 156.82 27.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.423 ' HB3' ' CD1' ' A' ' 81' ' ' TYR . 60.5 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.537 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 4.4 mm? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.565 0.697 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.526 ' HD2' HD12 ' A' ' 17' ' ' LEU . 53.1 Cg_endo -69.81 168.79 20.61 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.293 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.86 171.35 34.33 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 141.57 45.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.648 2.232 . . . . 0.0 112.3 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.54 111.74 8.3 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.577 0.703 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 23' ' ' ASN . 53.5 Cg_endo -69.81 -177.17 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 22' ' ' PRO . 2.8 m-20 35.31 52.54 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.403 HD12 ' HB3' ' A' ' 38' ' ' TRP . 58.5 tp -84.51 105.18 15.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -116.61 158.72 23.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.463 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -159.0 127.03 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -140.4 149.84 43.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.944 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 107' ' ' THR . . . -84.83 108.45 17.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.123 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.61 -24.67 56.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 m -154.39 160.03 31.34 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.67 0.748 . . . . 0.0 110.839 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 1.51 4.34 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.739 2.293 . . . . 0.0 112.354 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.9 p -131.36 1.28 4.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 p -145.34 172.67 12.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.627 HD11 HG23 ' A' ' 107' ' ' THR . 90.5 mt -151.88 127.72 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.4 m -98.34 133.0 43.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.17 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.463 HG13 ' HB2' ' A' ' 26' ' ' ALA . 11.4 t -127.39 128.2 69.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.3 p -124.39 131.42 53.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.461 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 48.2 p90 -134.45 168.59 18.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -114.43 164.79 13.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.499 HG23 ' HD2' ' A' ' 41' ' ' PRO . 55.1 m -86.29 134.85 37.59 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.575 0.702 . . . . 0.0 111.127 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.499 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.9 Cg_endo -69.73 111.72 2.88 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.709 2.272 . . . . 0.0 112.345 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.7 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.099 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.3 mm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.745 0.307 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -88.95 -56.73 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -148.58 166.76 27.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -114.14 125.73 54.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.418 ' CG ' ' CE1' ' A' ' 54' ' ' TYR . 1.9 tppp? -99.91 131.49 45.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.637 ' O ' HG22 ' A' ' 66' ' ' VAL . 28.8 tp -126.92 116.84 21.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.442 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 2.8 m-85 -99.16 157.6 16.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.512 ' HE1' HG13 ' A' ' 66' ' ' VAL . 10.7 p90 -155.57 137.49 14.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -155.67 161.48 40.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -86.93 129.86 34.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -53.72 91.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.88 40.06 0.5 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.87 -35.04 2.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 111.146 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.6 t70 71.86 25.28 3.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.34 116.31 4.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -110.56 158.91 18.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -114.05 -177.48 3.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.34 129.77 27.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 53' ' ' LEU . 8.8 m -121.59 125.4 73.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.49 118.09 14.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 69' ' ' SER . 88.4 t -122.99 156.14 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.473 ' N ' HG12 ' A' ' 68' ' ' VAL . 87.6 p -113.53 -37.21 4.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.6 m -88.54 161.33 17.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.461 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 72.0 m80 -68.05 -33.25 74.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 97.2 p -112.0 126.84 55.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -125.2 162.93 23.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.971 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 62.6 m -125.98 120.12 29.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.1 mt -102.36 111.2 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -104.29 156.37 17.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.25 44.97 2.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.52 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.1 mt -120.77 170.22 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.896 0.379 . . . . 0.0 110.92 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.5 mtmm -80.96 168.44 18.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -92.12 147.27 23.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.3 t80 43.46 52.45 5.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.037 0.446 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.1 m -133.52 133.0 41.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.164 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -69.23 151.56 46.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -152.24 128.41 10.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -83.15 152.16 25.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -146.36 136.04 23.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.442 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 28.6 ptt180 -147.17 133.6 19.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.0 t -107.17 143.65 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.0 t -132.6 137.6 53.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.57 125.39 35.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 24.3 m-85 -112.91 120.84 42.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -121.34 167.41 12.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -44.12 -33.41 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -73.15 -57.76 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 169.56 -177.45 43.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.556 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.8 Cg_endo -69.76 128.64 16.32 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.369 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.441 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -86.73 -154.28 25.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.443 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.5 m -55.57 -175.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.7 t -143.43 106.94 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.2 p -40.88 154.66 0.21 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.565 0.697 . . . . 0.0 111.165 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 102' ' ' ASP . 53.1 Cg_endo -69.8 130.51 19.41 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 101' ' ' PRO . 1.2 m-20 -34.63 138.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 103' ' ' VAL . 98.5 t -125.06 77.98 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.4 136.25 54.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.1 p -144.48 137.82 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.163 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -92.28 129.92 38.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.627 HG23 HD11 ' A' ' 34' ' ' ILE . 13.5 p -74.1 -177.2 2.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.3 mt -89.06 164.36 15.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.91 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.451 HD23 ' HA2' ' A' ' 97' ' ' GLY . 1.1 mp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.553 0.692 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 164.22 35.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.09 176.75 28.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.602 ' HD3' HG21 ' A' ' 98' ' ' VAL . 54.2 Cg_endo -69.73 121.82 8.51 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.648 2.232 . . . . 0.0 112.399 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -49.99 111.4 2.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.552 0.692 . . . . 0.0 111.099 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 178.34 4.71 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.414 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 25.9 m120 47.05 40.26 9.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.487 HD22 ' HB ' ' A' ' 100' ' ' THR . 52.9 tp -75.44 104.56 6.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.1 mmm-85 -116.34 159.24 22.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.401 ' HB3' HG11 ' A' ' 103' ' ' VAL . . . -155.34 126.76 7.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.559 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 41.5 p90 -143.54 138.57 29.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.53 105.55 10.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.46 -38.85 85.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -140.99 163.5 42.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.668 0.747 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.93 3.99 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.716 2.278 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.0 p -127.72 -18.94 4.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 p -128.34 168.19 15.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.462 HD11 HG23 ' A' ' 107' ' ' THR . 89.4 mt -143.17 137.35 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.559 ' HB ' ' CE1' ' A' ' 27' ' ' TYR . 87.9 m -103.38 137.19 41.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.3 t -133.81 127.19 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.8 p -124.68 131.54 53.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.545 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 45.5 p90 -134.52 167.73 20.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.44 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 50.8 mm-40 -118.93 165.25 14.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.433 HG23 ' HD2' ' A' ' 41' ' ' PRO . 96.5 m -85.73 133.03 42.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 0.0 111.17 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.3 Cg_endo -69.76 112.96 3.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.29 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.915 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.4 mm . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.792 0.33 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -109.72 -53.75 2.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -143.86 151.06 39.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -110.96 116.79 31.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -90.97 118.54 30.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.9 tp -114.48 112.03 22.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -86.59 148.44 25.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.483 ' CG ' HD13 ' A' ' 75' ' ' ILE . 12.0 p90 -149.97 125.85 10.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.945 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -154.36 162.36 41.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 30.7 tt0 -86.13 133.57 33.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.97 99.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.54 42.76 0.94 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.429 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -128.72 -39.39 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.323 . . . . 0.0 111.163 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.3 t70 68.57 27.87 6.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -133.13 62.31 1.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -57.17 142.33 43.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -114.09 -177.64 3.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 1.3 p-10 -149.13 135.46 19.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 66' ' ' VAL . 27.2 m -133.75 121.91 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -68.94 109.06 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 82.6 t -109.31 146.2 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.7 m -102.99 -35.86 8.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.6 p -89.31 155.95 19.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.545 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 31.4 m80 -64.02 -26.4 68.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.5 m -119.67 133.99 55.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.444 ' CG ' ' N ' ' A' ' 74' ' ' THR . 71.7 t80 -126.3 170.18 12.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' A' ' 73' ' ' TYR . 37.6 m -135.03 110.34 9.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.11 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.483 HD13 ' CG ' ' A' ' 55' ' ' TYR . 95.5 mt -93.32 126.85 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -119.57 169.48 10.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.94 56.55 3.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.3 mt -127.2 169.89 12.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -77.1 154.85 32.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -83.33 148.31 27.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.8 t80 47.15 42.72 13.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 83' ' ' GLU . 36.3 m -123.85 154.61 39.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.14 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.423 ' N ' HG22 ' A' ' 82' ' ' THR . 14.4 tt0 -94.25 149.92 20.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 67.1 m-85 -145.69 132.06 19.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.76 152.11 24.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.477 ' HE1' HD12 ' A' ' 75' ' ' ILE . 85.6 m-85 -147.2 134.28 20.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.868 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -150.95 126.23 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 84.4 t -96.01 148.22 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 70.6 t -136.43 140.46 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.98 129.53 34.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.542 ' CE1' ' HB3' ' A' ' 96' ' ' PRO . 33.7 m-85 -127.46 106.88 9.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -128.6 172.31 11.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 94' ' ' HIS . 16.9 ptpt -41.7 -43.18 2.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.472 ' N ' ' HG3' ' A' ' 93' ' ' LYS . 27.2 m80 -58.98 -67.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 163.46 171.7 30.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.542 ' HB3' ' CE1' ' A' ' 91' ' ' TYR . 53.6 Cg_endo -69.76 110.41 2.55 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.343 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.451 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -73.76 -123.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.602 HG21 ' HD3' ' A' ' 20' ' ' PRO . 13.3 m -89.05 168.75 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 111.135 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.2 t -122.76 116.65 24.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.487 ' HB ' HD22 ' A' ' 24' ' ' LEU . 16.4 p -43.12 155.43 0.28 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.54 0.686 . . . . 0.0 111.16 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 130.6 19.59 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -41.89 134.91 2.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.716 ' O ' HG12 ' A' ' 103' ' ' VAL . 43.8 t -119.52 74.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.32 127.67 32.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.9 p -138.28 141.73 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 35.7 ttp180 -95.7 130.05 42.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.462 HG23 HD11 ' A' ' 34' ' ' ILE . 20.7 p -69.11 178.06 2.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 37.9 mt -79.76 153.06 29.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.932 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.645 0.736 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HB3' ' ND2' ' A' ' 92' ' ' ASN . 54.1 Cg_endo -69.78 158.87 55.46 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.661 2.241 . . . . 0.0 112.352 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.53 179.51 31.88 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.574 ' HD3' HG21 ' A' ' 98' ' ' VAL . 54.4 Cg_endo -69.73 136.05 32.08 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -65.16 111.99 7.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.583 0.706 . . . . 0.0 111.07 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -179.46 2.94 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.43 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 25.9 m120 45.43 43.32 8.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 38' ' ' TRP . 53.9 tp -80.38 100.52 8.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -109.2 150.66 27.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -147.39 129.57 15.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.076 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -150.69 138.88 20.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.33 102.89 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.068 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.79 -27.64 66.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 p -149.31 158.28 38.48 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.685 0.755 . . . . 0.0 110.829 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 1.03 4.8 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.36 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.4 p -130.04 -7.0 4.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.198 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.14 176.96 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.539 HG21 ' CE2' ' A' ' 86' ' ' PHE . 58.3 mt -155.37 122.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.2 m -98.91 132.43 44.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.3 t -125.42 131.61 72.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.2 p -124.65 146.19 49.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.558 ' CE3' HG21 ' A' ' 88' ' ' VAL . 31.4 p90 -150.67 174.2 13.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.559 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 10.0 mm-40 -123.84 165.52 17.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.534 HG23 ' HD2' ' A' ' 41' ' ' PRO . 55.5 m -85.47 135.77 38.21 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.58 0.705 . . . . 0.0 111.15 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.534 ' HD2' HG23 ' A' ' 40' ' ' THR . 54.4 Cg_endo -69.77 120.41 7.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.381 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.551 HG21 ' CE1' ' A' ' 51' ' ' TYR . 46.7 mm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.764 0.316 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -77.35 -44.75 28.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -159.82 164.49 33.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.551 ' CE1' HG21 ' A' ' 48' ' ' ILE . 63.7 m-85 -118.65 123.48 45.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -103.8 122.31 44.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.574 ' O ' HG22 ' A' ' 66' ' ' VAL . 19.3 tp -110.59 130.12 55.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 15.1 m-85 -102.39 158.3 16.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -162.05 128.88 3.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -159.06 161.6 36.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.588 ' HG3' ' CE2' ' A' ' 84' ' ' TYR . 30.9 mt-10 -81.63 144.46 31.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -67.69 107.46 2.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.89 44.49 2.07 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -127.74 -28.35 2.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 0.0 111.104 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 63.34 25.3 14.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -134.95 83.33 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -77.65 150.88 34.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.595 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 41.2 mt-30 -126.32 176.78 6.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -142.58 144.58 32.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 53' ' ' LEU . 34.7 m -133.64 145.5 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.35 120.77 22.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.0 t -140.13 139.14 37.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.24 47.58 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.9 p -154.46 168.24 27.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -91.62 22.64 3.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.6 p -169.26 126.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -138.96 150.13 45.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.1 m -121.89 126.98 49.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.5 mt -106.05 114.09 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -104.35 157.94 16.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.12 50.28 2.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.42 HD12 HG13 ' A' ' 34' ' ' ILE . 39.1 mt -122.76 166.4 15.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -76.65 168.74 19.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -95.19 151.58 19.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.6 t80 45.37 45.53 10.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.5 m -132.69 139.61 47.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -78.8 155.27 29.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.588 ' CE2' ' HG3' ' A' ' 57' ' ' GLU . 41.6 m-85 -150.43 130.22 13.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.2 t -83.58 153.22 24.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.539 ' CE2' HG21 ' A' ' 34' ' ' ILE . 85.9 m-85 -151.27 131.32 13.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.443 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 13.1 ptt180 -149.16 135.11 18.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.558 HG21 ' CE3' ' A' ' 38' ' ' TRP . 95.0 t -106.22 147.0 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.6 t -123.95 135.36 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.08 145.26 26.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.056 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.454 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 24.0 m-85 -129.85 142.56 50.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 18' ' ' PRO . 20.2 m-20 -148.02 155.6 41.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -38.57 -37.21 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -69.16 -62.85 1.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.837 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 174.33 169.3 36.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.454 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.5 Cg_endo -69.72 112.49 3.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 0.0 112.355 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -73.3 -157.25 4.18 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.574 HG21 ' HD3' ' A' ' 20' ' ' PRO . 21.8 m -57.99 -175.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.133 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.7 t -138.67 146.2 41.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 49.2 p -64.75 152.7 89.63 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.525 0.678 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 102' ' ' ASP . 53.8 Cg_endo -69.75 131.52 21.41 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.382 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 101' ' ' PRO . 13.0 m-20 -34.94 134.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.557 ' O ' HG12 ' A' ' 103' ' ' VAL . 57.2 t -120.31 80.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.19 137.68 43.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.8 p -145.7 144.94 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -93.94 135.19 35.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.512 HG23 HD11 ' A' ' 34' ' ' ILE . 3.3 p -78.36 163.3 25.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.0 mt -66.69 136.74 55.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.3 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.929 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.797 HD23 ' HA2' ' A' ' 97' ' ' GLY . 2.4 mp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 121.639 0.733 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 157.8 59.22 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.87 177.5 31.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 136.46 33.06 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.676 2.251 . . . . 0.0 112.34 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -61.16 118.61 37.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.559 0.695 . . . . 0.0 111.111 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 23' ' ' ASN . 53.5 Cg_endo -69.78 -175.32 1.12 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.691 2.26 . . . . 0.0 112.372 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 22' ' ' PRO . 2.7 m-20 34.27 46.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.0 tp -79.47 101.93 8.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -112.59 155.44 24.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.72 128.84 11.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -147.41 148.44 31.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.94 112.86 23.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.086 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.32 -40.27 58.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -135.92 161.56 61.96 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.624 0.726 . . . . 0.0 110.877 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 1.84 4.08 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.644 2.229 . . . . 0.0 112.319 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.0 p -132.86 0.83 3.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.422 ' C ' HG13 ' A' ' 34' ' ' ILE . 3.4 p -142.79 173.31 11.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.753 HD11 HG23 ' A' ' 107' ' ' THR . 97.2 mt -151.92 127.45 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.8 m -99.99 129.85 46.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.3 t -121.43 133.25 68.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 62.2 p -128.21 130.52 48.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 49.0 p90 -133.58 173.44 11.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.435 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 35.1 mm-40 -121.95 165.0 16.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.0 m -85.98 131.95 45.27 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.571 0.7 . . . . 0.0 111.166 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 109.16 2.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.304 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.908 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.8 mm . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.778 0.323 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -71.63 -57.81 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -151.53 150.47 30.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -93.13 118.71 31.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.559 ' HG3' ' CE1' ' A' ' 54' ' ' TYR . 10.0 tptm -92.83 102.54 14.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.6 tp -99.25 133.12 44.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 52' ' ' LYS . 2.0 m-85 -113.01 161.82 16.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -162.13 142.5 10.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.934 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -158.74 162.02 37.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.552 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 63.9 tt0 -95.95 105.6 17.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 57' ' ' GLU . 1.3 tppt? -29.56 101.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.14 -38.16 1.94 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -30.75 40.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.728 0.299 . . . . 0.0 111.133 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 67.81 24.95 8.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -156.02 120.7 4.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.9 pm0 -101.21 153.58 19.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -109.78 -174.3 2.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -141.36 133.1 27.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 66' ' ' VAL . 13.2 m -130.54 129.34 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -69.16 129.95 41.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.3 t -143.3 137.59 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.6 m -123.19 46.88 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.7 m -159.09 162.82 36.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -89.77 31.12 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.2 p -171.84 126.61 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -139.86 159.98 40.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.936 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 56.2 m -131.08 119.78 22.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 85.7 mt -102.38 105.6 18.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -98.02 163.58 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.8 50.5 3.5 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.504 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 49.5 mt -122.49 168.77 11.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.882 0.372 . . . . 0.0 110.958 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -75.77 158.47 32.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -86.35 139.72 30.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 21.0 t80 53.39 51.4 15.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.1 m -135.21 141.55 45.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.107 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.513 ' HG2' ' HB1' ' A' ' 104' ' ' ALA . 4.0 tt0 -81.2 151.51 28.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.552 ' CE2' ' HB2' ' A' ' 57' ' ' GLU . 39.1 m-85 -145.9 129.33 16.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.943 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 t -83.6 142.44 30.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -137.77 138.12 38.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -150.18 133.45 16.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 96.9 t -102.74 137.5 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 54.8 t -124.48 131.87 72.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -88.92 119.76 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.076 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.579 ' CE1' ' HB3' ' A' ' 96' ' ' PRO . 31.6 m-85 -112.41 114.23 26.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -124.78 170.15 11.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 94' ' ' HIS . 19.6 ptmt -43.2 -48.25 6.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.409 ' N ' ' HG3' ' A' ' 93' ' ' LYS . 42.4 m80 -56.16 -57.81 10.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 156.71 173.1 24.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.448 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.579 ' HB3' ' CE1' ' A' ' 91' ' ' TYR . 53.5 Cg_endo -69.82 107.82 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 0.0 112.296 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.797 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -64.43 -113.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.5 m -104.46 179.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 111.086 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.3 t -126.92 129.3 47.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.9 p -55.63 157.8 6.98 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.544 0.688 . . . . 0.0 111.164 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 102' ' ' ASP . 54.1 Cg_endo -69.77 130.98 20.27 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.637 2.225 . . . . 0.0 112.378 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 101' ' ' PRO . 3.3 m-20 -37.26 129.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.683 ' O ' HG12 ' A' ' 103' ' ' VAL . 55.7 t -118.42 73.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.513 ' HB1' ' HG2' ' A' ' 83' ' ' GLU . . . -64.42 140.09 58.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.6 p -144.48 139.11 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 47.2 ttm-85 -91.34 133.69 35.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.753 HG23 HD11 ' A' ' 34' ' ' ILE . 1.6 p -79.56 164.78 23.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 64.7 mt -69.48 141.06 54.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.909 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.531 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 4.6 mm? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.617 0.723 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.592 ' HG2' ' HB3' ' A' ' 90' ' ' ALA . 53.8 Cg_endo -69.76 174.98 8.72 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.714 2.276 . . . . 0.0 112.327 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.01 170.56 20.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.947 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.6 Cg_endo -69.75 113.03 3.24 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.683 2.256 . . . . 0.0 112.322 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -42.87 111.91 1.08 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.527 0.679 . . . . 0.0 111.059 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' ASN . 54.1 Cg_endo -69.78 -174.2 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.704 2.269 . . . . 0.0 112.299 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.472 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 2.7 m-20 34.4 51.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.441 HD22 ' HB ' ' A' ' 100' ' ' THR . 19.6 tp -84.76 104.19 14.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.2 mmm-85 -114.18 168.03 10.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -165.51 127.51 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.066 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -141.66 143.91 33.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.84 106.49 15.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.117 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.25 -36.91 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -143.17 162.14 44.49 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.65 0.738 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 1.67 4.22 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.737 2.291 . . . . 0.0 112.341 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.8 p -125.63 -20.72 4.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 p -126.95 171.44 11.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.809 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.499 HD11 HG23 ' A' ' 107' ' ' THR . 93.9 mt -147.97 126.36 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.9 m -94.26 126.57 39.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.1 t -124.09 135.53 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.432 HG22 ' CB ' ' A' ' 72' ' ' SER . 37.5 p -131.08 140.03 49.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.09 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 49.3 p90 -142.31 165.28 27.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.478 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 25.2 mm-40 -109.35 163.65 13.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.8 m -86.75 132.07 43.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 111.107 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 115.46 4.11 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.653 2.235 . . . . 0.0 112.356 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 179.929 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.8 mm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.802 0.334 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.44 ' NE2' ' HB3' ' A' ' 93' ' ' LYS . 55.6 mt-30 -80.18 -45.81 17.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -156.76 140.95 16.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -93.61 130.0 39.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' CE ' ' HA ' ' A' ' 52' ' ' LYS . 1.1 tpmt? -100.62 122.46 43.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.3 tp -116.37 127.3 54.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.472 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 1.1 m-85 -108.33 161.25 15.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.498 ' HE1' HG13 ' A' ' 66' ' ' VAL . 33.1 p90 -162.1 139.29 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.481 ' HB3' ' CB ' ' A' ' 63' ' ' GLU . 2.2 ptt? -159.03 161.87 36.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.443 ' HG3' ' CG2' ' A' ' 82' ' ' THR . 20.7 tt0 -85.35 132.14 34.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -55.6 97.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.67 42.3 0.74 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -133.16 -34.28 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.329 . . . . 0.0 111.124 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.6 t0 68.12 25.02 7.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -149.66 107.34 3.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.481 ' CB ' ' HB3' ' A' ' 56' ' ' MET . 2.9 pt-20 -106.61 158.63 16.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.448 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 61.5 mt-30 -106.42 172.92 6.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -128.8 127.92 42.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.498 HG13 ' HE1' ' A' ' 55' ' ' TYR . 27.2 m -126.52 129.54 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.69 117.64 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.4 t -118.81 132.3 69.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.0 m -116.24 51.36 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.0 m -166.45 -178.6 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -85.61 -33.73 21.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.432 ' CB ' HG22 ' A' ' 37' ' ' THR . 94.7 p -123.2 142.53 50.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.821 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -135.93 159.68 40.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 65.9 m -125.13 113.7 18.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 93.7 mt -96.91 107.38 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -101.5 173.02 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.1 47.73 6.88 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.465 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.9 mt -125.08 159.48 31.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.923 0.392 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -69.13 171.03 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.22 147.02 27.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.4 t80 56.05 41.64 29.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.443 ' CG2' ' HG3' ' A' ' 57' ' ' GLU . 36.7 m -131.33 136.84 48.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -79.7 153.56 29.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.422 ' CE2' HG22 ' A' ' 82' ' ' THR . 81.8 m-85 -152.08 133.29 14.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.964 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t -83.9 152.57 24.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -145.42 139.21 26.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.401 ' CD ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -150.99 141.3 22.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 85.7 t -110.8 135.2 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.401 HG23 ' CD ' ' A' ' 87' ' ' ARG . 77.2 t -127.23 135.24 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.592 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -87.23 128.65 35.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 33.7 m-85 -120.86 114.41 21.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.429 ' O ' ' N ' ' A' ' 94' ' ' HIS . 34.5 p-10 -116.57 162.15 18.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.44 ' HB3' ' NE2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -39.41 -28.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 92' ' ' ASN . 50.3 m-70 -73.39 -64.35 1.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.817 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 171.8 -174.27 45.18 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.551 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.0 Cg_endo -69.72 127.57 14.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.258 . . . . 0.0 112.341 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.484 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -95.05 -157.33 32.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.486 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.947 HG21 ' HD3' ' A' ' 20' ' ' PRO . 20.5 m -50.71 175.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 111.153 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -132.81 118.07 18.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.441 ' HB ' HD22 ' A' ' 24' ' ' LEU . 1.1 p -56.9 158.46 8.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.629 0.728 . . . . 0.0 111.096 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 132.25 22.84 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.351 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -46.21 145.57 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.1 t -129.5 80.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.14 135.44 49.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.2 p -144.96 145.27 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -99.51 132.37 44.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.499 HG23 HD11 ' A' ' 34' ' ' ILE . 15.3 p -75.99 162.03 28.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 59.2 mt -64.74 152.13 43.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.901 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.627 0.727 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.46 18.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.292 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.11 173.89 20.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.563 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.2 Cg_endo -69.83 123.65 10.29 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.665 2.243 . . . . 0.0 112.34 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.431 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -51.01 110.88 1.95 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.555 0.693 . . . . 0.0 111.116 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 179.95 3.33 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.1 m120 43.14 48.07 5.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 38' ' ' TRP . 21.9 tp -78.78 107.05 11.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.94 139.29 48.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -137.08 131.18 32.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -128.38 129.77 46.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.74 104.18 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.27 -43.54 98.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.04 164.17 41.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.64 0.733 . . . . 0.0 110.866 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 3.22 2.85 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.9 p -126.56 -19.4 4.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.431 ' C ' HG13 ' A' ' 34' ' ' ILE . 87.5 p -126.83 174.36 8.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.724 HD11 HG23 ' A' ' 107' ' ' THR . 87.9 mt -152.71 127.63 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.099 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.7 m -100.59 109.42 21.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.462 HG13 ' HB2' ' A' ' 26' ' ' ALA . 49.7 t -98.53 143.34 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.179 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 p -132.48 161.69 33.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.466 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 48.4 p90 -164.34 157.33 17.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.431 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 3.1 mm-40 -106.93 165.32 11.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.0 m -85.65 129.8 53.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.633 0.73 . . . . 0.0 111.111 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 110.98 2.68 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.394 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.7 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.689 HG21 ' CZ ' ' A' ' 51' ' ' TYR . 49.2 mm . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.797 0.332 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -87.83 -57.46 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -147.12 159.58 43.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.689 ' CZ ' HG21 ' A' ' 48' ' ' ILE . 55.7 m-85 -113.73 141.65 47.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -110.91 112.17 23.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.704 ' O ' HG22 ' A' ' 66' ' ' VAL . 22.2 tp -100.09 130.29 46.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 1.3 m-85 -108.17 162.35 14.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -162.14 128.61 3.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -153.04 161.5 42.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -88.13 135.36 33.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 95.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.29 40.7 0.67 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.466 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.05 -25.86 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.185 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 64.1 26.15 13.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -146.21 112.22 5.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -96.72 146.9 24.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.452 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 12.3 mm-40 -112.48 179.54 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -145.09 139.9 27.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 53' ' ' LEU . 27.2 m -134.19 137.48 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.9 115.82 17.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.501 HG22 ' CD1' ' A' ' 73' ' ' TYR . 85.9 t -119.32 125.72 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.5 m -102.78 51.16 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -172.93 173.72 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.44 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 17.6 m170 -72.67 -28.55 62.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 t -129.21 151.59 49.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.501 ' CD1' HG22 ' A' ' 68' ' ' VAL . 74.8 t80 -138.35 170.86 15.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.446 ' N ' ' CG ' ' A' ' 73' ' ' TYR . 96.6 m -134.37 117.04 15.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.163 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 62.0 mt -101.72 115.45 43.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -106.02 157.51 17.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.66 53.98 2.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.533 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.8 mt -123.61 173.2 8.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.878 0.37 . . . . 0.0 110.917 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -79.85 150.2 30.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -78.18 143.79 36.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 18.2 t80 47.88 43.82 17.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.4 m -127.95 139.37 52.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -79.05 149.16 32.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -145.38 130.89 18.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -83.16 140.3 32.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -136.7 140.98 43.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -148.02 160.63 42.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 77.3 t -128.93 140.08 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.077 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 90.4 t -128.91 135.4 62.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.36 136.51 32.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 96' ' ' PRO . 29.8 m-85 -128.81 111.75 13.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 93' ' ' LYS . 51.5 p30 -132.42 165.06 25.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.606 ' HE3' ' CE1' ' A' ' 94' ' ' HIS . 36.0 pttt -35.08 -48.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.606 ' CE1' ' HE3' ' A' ' 93' ' ' LYS . 13.1 m80 -52.62 -67.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 165.04 176.0 36.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.561 ' HB3' ' CE1' ' A' ' 91' ' ' TYR . 53.3 Cg_endo -69.82 113.21 3.31 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.695 2.263 . . . . 0.0 112.312 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -83.39 -167.62 41.98 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.445 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.563 HG21 ' HD3' ' A' ' 20' ' ' PRO . 33.8 m -50.95 178.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.877 0.37 . . . . 0.0 111.128 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.6 t -132.67 135.82 46.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.7 p -57.52 158.04 12.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.708 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 102' ' ' ASP . 54.3 Cg_endo -69.75 131.93 22.29 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 2.265 . . . . 0.0 112.348 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 101' ' ' PRO . 4.9 m-20 -36.26 136.75 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.488 ' O ' HG12 ' A' ' 103' ' ' VAL . 87.3 t -123.0 78.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.96 133.61 46.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.5 p -138.03 144.17 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -97.67 128.41 44.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.724 HG23 HD11 ' A' ' 34' ' ' ILE . 2.7 p -73.17 155.12 39.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 27.4 mt -55.25 148.68 14.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.841 -179.887 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.554 HD12 ' HD2' ' A' ' 18' ' ' PRO . 4.4 mm? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.542 0.687 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.554 ' HD2' HD12 ' A' ' 17' ' ' LEU . 53.7 Cg_endo -69.7 170.63 16.06 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.64 170.66 31.15 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.578 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.5 Cg_endo -69.77 124.34 10.99 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.87 110.1 1.61 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.61 0.719 . . . . 0.0 111.144 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -178.14 2.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.641 2.227 . . . . 0.0 112.338 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.426 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 27.3 m120 40.49 47.24 2.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.5 tp -84.16 104.89 14.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.1 mmm-85 -113.72 170.16 8.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -164.75 126.96 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.105 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.4 ' CE2' ' HB ' ' A' ' 35' ' ' THR . 18.2 p90 -144.36 145.19 31.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.67 105.6 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.088 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.5 -43.43 73.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -131.55 161.69 60.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.678 0.751 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 0.26 5.89 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.709 2.273 . . . . 0.0 112.359 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.8 p -132.28 3.64 3.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.15 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.407 ' C ' HG13 ' A' ' 34' ' ' ILE . 3.5 p -143.63 176.12 9.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.61 HD11 ' CG2' ' A' ' 107' ' ' THR . 80.2 mt -153.79 134.4 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.4 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 42.4 m -105.58 126.27 51.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.3 t -122.17 126.11 73.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.453 HG22 ' HB3' ' A' ' 72' ' ' SER . 68.0 p -120.69 134.9 55.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.539 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 49.0 p90 -137.71 168.36 19.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 3.6 mm-40 -115.15 164.71 13.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.606 HG23 ' HD2' ' A' ' 41' ' ' PRO . 98.0 m -87.46 137.17 32.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.578 0.704 . . . . 0.0 111.124 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.77 112.63 3.13 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.256 . . . . 0.0 112.319 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.887 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.6 mm . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.797 0.332 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -86.4 -60.54 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -150.62 161.59 42.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -104.91 123.06 47.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.476 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 0.6 OUTLIER -96.84 111.5 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.486 ' O ' HG22 ' A' ' 66' ' ' VAL . 28.5 tp -102.57 121.92 43.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.476 ' CE1' ' HG2' ' A' ' 52' ' ' LYS . 6.9 m-85 -101.34 155.87 17.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.434 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 22.3 p90 -159.72 135.9 8.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.922 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -156.97 161.12 39.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -89.74 134.14 34.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -56.49 94.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.86 40.04 0.67 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.535 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 m -126.24 -26.07 3.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.767 0.318 . . . . 0.0 111.132 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.28 25.58 15.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -147.83 105.3 3.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -95.24 151.72 18.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -113.43 176.66 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -141.89 132.59 25.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 53' ' ' LEU . 29.6 m -129.35 137.77 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.9 116.31 21.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 70' ' ' SER . 59.0 t -119.22 125.89 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.3 p -81.85 -37.92 26.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.416 ' O ' HG12 ' A' ' 68' ' ' VAL . 15.9 p -83.98 168.59 15.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.539 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 35.3 m80 -76.33 -25.52 54.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.453 ' HB3' HG22 ' A' ' 37' ' ' THR . 70.9 p -122.63 135.49 54.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -127.71 155.63 43.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.956 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.413 HG22 HD21 ' A' ' 76' ' ' ASN . 31.8 m -118.7 106.35 12.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.162 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.1 mt -89.2 120.98 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.413 HD21 HG22 ' A' ' 74' ' ' THR . 6.3 m-80 -114.27 169.87 8.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.73 46.88 6.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.435 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.43 HD12 HG13 ' A' ' 34' ' ' ILE . 47.1 mt -118.71 163.59 16.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.908 0.385 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -74.5 165.19 25.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.3 mtmm -94.97 135.85 36.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.1 t80 62.55 45.71 6.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.0 m -132.83 142.33 48.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.171 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.513 ' OE2' ' HB1' ' A' ' 104' ' ' ALA . 20.7 tt0 -84.24 154.22 23.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -151.57 129.06 11.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.55 141.01 31.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.881 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.434 ' CE1' ' HB2' ' A' ' 55' ' ' TYR . 86.9 m-85 -135.02 137.86 43.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.438 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 9.2 ptt180 -147.96 139.5 23.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.1 t -107.26 144.48 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.5 t -134.07 132.63 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.99 127.64 35.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 31.1 m-85 -118.81 110.96 17.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.9 p30 -113.21 178.36 4.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.556 ' HD2' ' CE1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -48.43 -37.94 18.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.556 ' CE1' ' HD2' ' A' ' 93' ' ' LYS . 74.9 m-70 -64.86 -70.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.526 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 175.54 -169.53 42.32 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.514 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.556 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.3 Cg_endo -69.82 121.83 8.5 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.432 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -86.09 -155.51 26.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.578 HG21 ' HD3' ' A' ' 20' ' ' PRO . 17.3 m -58.7 173.22 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.8 t -124.76 118.23 25.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.1 p -51.8 159.0 1.44 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.558 0.694 . . . . 0.0 111.131 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 130.73 19.85 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.665 2.243 . . . . 0.0 112.335 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -42.27 137.19 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.463 ' O ' HG12 ' A' ' 103' ' ' VAL . 79.7 t -123.32 80.32 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.513 ' HB1' ' OE2' ' A' ' 83' ' ' GLU . . . -72.92 130.99 41.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.8 p -137.97 145.92 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.9 ttm-85 -98.6 126.65 44.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.61 ' CG2' HD11 ' A' ' 34' ' ' ILE . 44.3 p -74.54 163.84 27.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.5 mt -69.12 145.67 53.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.934 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.482 HD23 ' HA2' ' A' ' 97' ' ' GLY . 1.1 mp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.581 0.705 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HD3' ' ND2' ' A' ' 92' ' ' ASN . 54.1 Cg_endo -69.79 178.52 4.5 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.315 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.1 170.23 13.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.66 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.7 Cg_endo -69.75 118.47 5.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.63 108.23 0.86 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.585 0.707 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -179.07 2.68 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.313 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.479 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 2.6 m120 40.83 44.18 1.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' A' ' 38' ' ' TRP . 51.7 tp -77.12 103.84 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -107.69 159.97 16.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.2 126.85 7.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -145.68 148.86 33.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.34 112.67 21.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.068 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.42 -12.82 57.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.051 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.674 ' HA ' HD12 ' A' ' 108' ' ' LEU . 0.6 OUTLIER -169.69 156.51 6.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.649 0.738 . . . . 0.0 110.864 -179.776 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 5.1 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.737 2.292 . . . . 0.0 112.309 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.4 p -127.41 -10.75 5.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 p -139.62 177.19 8.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.723 HD11 ' CG2' ' A' ' 107' ' ' THR . 89.1 mt -152.61 116.79 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.5 m -87.97 133.99 33.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.9 t -129.09 132.49 67.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.454 HG22 ' CB ' ' A' ' 72' ' ' SER . 59.8 p -125.55 135.09 51.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.546 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 43.6 p90 -134.55 164.33 27.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.479 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 29.0 mt-10 -111.24 165.0 12.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.8 m -86.01 130.61 49.61 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.542 0.687 . . . . 0.0 111.168 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 110.25 2.5 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.0 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.897 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.1 mm . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.822 0.344 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -78.11 -49.98 12.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -151.91 162.52 40.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -116.61 139.06 50.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.478 ' HD2' ' CE1' ' A' ' 91' ' ' TYR . 7.5 tttp -116.21 114.2 24.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.561 ' O ' HG22 ' A' ' 66' ' ' VAL . 21.8 tp -103.1 131.42 50.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.453 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 4.3 m-85 -105.01 161.42 14.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -161.95 133.17 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -154.1 160.46 41.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.44 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 20.0 tt0 -85.31 138.34 32.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -60.86 103.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.91 43.82 1.37 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.532 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -127.64 -38.36 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 111.177 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.7 t70 73.88 28.81 1.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -154.41 110.52 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -108.55 156.35 19.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -115.21 -175.68 2.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.6 p30 -140.44 139.35 35.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.822 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 53' ' ' LEU . 33.5 m -127.93 134.75 64.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -76.85 102.64 6.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.44 HG23 HG23 ' A' ' 66' ' ' VAL . 72.5 t -104.57 149.3 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.1 p -113.36 -30.94 6.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.1 m -100.33 150.96 22.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.546 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 39.1 m80 -54.92 -43.37 73.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.454 ' CB ' HG22 ' A' ' 37' ' ' THR . 97.0 p -99.66 132.63 44.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -135.92 142.61 44.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.6 m -110.04 109.87 20.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.469 HD11 HD21 ' A' ' 53' ' ' LEU . 64.7 mt -87.21 110.94 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -96.83 168.86 10.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.89 62.35 2.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.501 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 60.3 mt -128.87 173.09 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.33 162.55 21.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.926 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.2 mttm -90.3 141.52 28.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 27.5 t80 47.81 45.86 18.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -130.42 132.31 45.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -74.73 148.82 40.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.44 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 49.5 m-85 -145.77 135.27 23.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.9 t -84.05 151.7 24.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.567 ' CE2' HG21 ' A' ' 34' ' ' ILE . 75.0 m-85 -146.15 139.43 25.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.453 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 6.5 ptp180 -151.1 136.74 17.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.8 t -102.98 137.36 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.4 t -124.75 134.45 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.76 139.58 30.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.478 ' CE1' ' HD2' ' A' ' 52' ' ' LYS . 30.4 m-85 -129.95 111.07 12.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 93' ' ' LYS . 52.0 p-10 -123.29 161.12 25.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 92' ' ' ASN . 14.3 ptmt -34.25 -46.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -57.88 -65.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.74 175.89 38.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 108.81 2.18 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.482 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -73.11 -164.1 8.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.66 HG21 ' HD3' ' A' ' 20' ' ' PRO . 17.3 m -48.48 178.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 111.098 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.7 t -130.86 131.62 44.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.9 p -57.98 155.62 23.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.579 0.704 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 130.05 18.71 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.707 2.271 . . . . 0.0 112.324 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -38.06 146.01 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.491 ' O ' HG12 ' A' ' 103' ' ' VAL . 81.5 t -131.8 78.61 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.44 128.47 35.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.126 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.2 p -135.58 144.96 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 37.7 ttm-85 -94.43 129.19 41.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.723 ' CG2' HD11 ' A' ' 34' ' ' ILE . 32.2 p -72.32 161.33 30.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 30' ' ' SER . 57.5 mt -63.27 152.74 36.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.7 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.931 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.538 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 4.4 mm? . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.589 0.709 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.519 ' HD2' HD12 ' A' ' 17' ' ' LEU . 54.3 Cg_endo -69.71 169.27 19.24 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.366 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.74 174.27 29.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.439 ' HD3' HG21 ' A' ' 98' ' ' VAL . 54.0 Cg_endo -69.75 121.97 8.65 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.485 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -47.46 112.43 2.07 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.578 0.704 . . . . 0.0 111.113 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 23' ' ' ASN . 53.7 Cg_endo -69.75 -176.74 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.668 2.245 . . . . 0.0 112.342 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 22' ' ' PRO . 2.5 m120 37.4 45.11 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 38' ' ' TRP . 44.1 tp -78.44 99.6 6.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -106.61 160.06 15.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -158.39 126.98 5.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -144.72 149.92 36.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.18 105.25 16.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.057 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.34 -34.32 74.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.416 ' HA ' HD12 ' A' ' 108' ' ' LEU . 1.2 m -142.23 163.0 42.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.671 0.748 . . . . 0.0 110.853 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -4.39 13.93 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.689 2.26 . . . . 0.0 112.364 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 47.5 p -129.67 -2.11 4.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 t -134.54 173.79 11.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.403 HD11 ' CG2' ' A' ' 107' ' ' THR . 68.7 mt -150.88 131.53 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.6 m -105.65 120.46 41.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.5 t -116.11 130.43 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 30.5 p -128.35 130.36 47.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.563 ' HB3' HD12 ' A' ' 24' ' ' LEU . 46.6 p90 -132.57 166.85 21.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.485 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 4.0 mm-40 -115.31 165.05 13.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.556 HG23 ' HD2' ' A' ' 41' ' ' PRO . 88.5 m -86.02 136.24 36.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 111.121 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.556 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.9 Cg_endo -69.79 106.51 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 0.0 112.333 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.1 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.927 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.585 HG21 ' CE1' ' A' ' 51' ' ' TYR . 49.5 mm . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.809 0.338 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -76.66 -46.85 24.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -153.92 152.96 31.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE1' HG21 ' A' ' 48' ' ' ILE . 59.5 m-85 -104.97 129.4 53.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -106.14 127.81 53.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.583 ' O ' HG22 ' A' ' 66' ' ' VAL . 19.5 tp -119.68 117.71 29.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.403 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 13.1 m-85 -96.63 155.68 16.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.465 ' CE1' ' HB2' ' A' ' 64' ' ' GLN . 25.0 p90 -155.86 137.9 14.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -155.88 157.88 37.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.459 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 14.3 tt0 -86.53 133.74 33.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.471 ' HE3' ' CB ' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -57.68 94.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.07 37.57 0.87 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.507 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -125.02 -35.16 2.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.319 . . . . 0.0 111.111 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 t0 70.75 25.38 4.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.47 110.81 4.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -104.64 158.68 16.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.465 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 21.2 mm-40 -115.77 -175.04 2.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -144.05 130.65 20.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 53' ' ' LEU . 3.8 m -122.42 125.25 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 67' ' ' ASP . 0.5 OUTLIER -73.13 117.5 14.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 70' ' ' SER . 95.4 t -123.65 139.39 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.8 m -93.17 -39.04 11.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.454 ' O ' HG12 ' A' ' 68' ' ' VAL . 20.3 p -91.42 165.78 13.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -84.53 24.96 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.9 p -155.47 116.3 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -125.42 156.0 39.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.7 m -121.04 117.51 27.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.7 mt -98.3 112.32 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -103.73 175.24 5.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.41 48.03 25.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 60.9 mt -117.71 165.3 13.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -82.22 151.94 26.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -80.96 143.55 32.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.469 ' CD1' ' HB3' ' A' ' 109' ' ' SER . 2.8 t80 53.94 53.31 11.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.7 m -141.02 126.77 19.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.33 147.4 46.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.459 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 46.4 m-85 -143.48 130.16 20.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -82.81 148.29 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -142.98 142.13 31.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.403 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 16.7 ptt180 -151.03 128.61 11.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 59.6 t -101.54 138.38 25.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 69.6 t -122.52 133.22 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.445 ' HB1' HD12 ' A' ' 48' ' ' ILE . . . -87.08 128.24 35.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.086 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 32.1 m-85 -116.06 122.23 44.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.405 ' OD1' HD13 ' A' ' 48' ' ' ILE . 21.3 m-20 -114.74 163.19 15.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 94' ' ' HIS . 9.4 ptpp? -39.92 -36.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.429 ' N ' ' HG3' ' A' ' 93' ' ' LYS . 20.1 m-70 -70.8 -66.64 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.538 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . -178.8 -172.45 43.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.551 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.7 Cg_endo -69.81 132.15 22.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.373 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.433 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -88.16 -118.72 1.44 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.461 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.439 HG21 ' HD3' ' A' ' 20' ' ' PRO . 27.0 m -95.35 -177.8 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 0.0 111.133 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.0 t -129.5 110.6 11.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.6 p -44.58 158.03 0.29 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 111.125 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 130.86 20.08 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.82 132.96 1.16 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.497 ' O ' HG12 ' A' ' 103' ' ' VAL . 74.6 t -119.92 80.9 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.159 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.471 ' CB ' ' HE3' ' A' ' 58' ' ' LYS . . . -72.97 141.26 47.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.63 143.42 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.0 ttm-85 -95.1 130.18 41.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.403 ' CG2' HD11 ' A' ' 34' ' ' ILE . 39.9 p -77.3 162.13 27.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 30' ' ' SER . 33.4 mt -66.17 138.76 57.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.469 ' HB3' ' CD1' ' A' ' 81' ' ' TYR . 95.3 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.651 HD13 ' HA2' ' A' ' 97' ' ' GLY . 44.3 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.61 ' HG2' ' HB3' ' A' ' 90' ' ' ALA . 54.3 Cg_endo -69.75 148.08 64.37 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.683 2.255 . . . . 0.0 112.365 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.41 173.97 55.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.462 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.7 Cg_endo -69.75 128.91 16.72 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.73 2.287 . . . . 0.0 112.336 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.95 112.04 4.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.712 . . . . 0.0 111.068 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -179.33 2.83 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.371 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.407 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 27.3 m120 40.83 49.32 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.6 tp -86.62 99.36 11.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.7 mmp_? -110.68 163.85 13.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.75 127.43 6.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -143.17 139.2 30.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.78 106.62 9.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.05 -37.3 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -144.94 162.32 38.63 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.661 0.743 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 1.8 4.1 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.323 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.516 HG22 ' HE2' ' A' ' 80' ' ' LYS . 70.3 p -131.48 -1.73 3.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.4 p -143.44 170.19 16.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.492 HD11 HG23 ' A' ' 107' ' ' THR . 89.1 mt -147.16 134.76 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.3 m -105.5 132.07 52.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.0 t -125.49 130.24 72.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.9 p -123.39 133.65 54.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.444 ' HH2' HG11 ' A' ' 68' ' ' VAL . 41.4 p90 -139.56 166.46 24.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.407 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 5.6 mm-40 -116.77 165.34 13.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.5 m -85.7 133.24 42.15 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.613 0.721 . . . . 0.0 111.114 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 114.92 3.87 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.249 . . . . 0.0 112.341 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.912 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.489 HG21 ' CE1' ' A' ' 51' ' ' TYR . 20.6 mm . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.828 0.347 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -60.4 -53.75 53.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -157.19 165.73 35.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.489 ' CE1' HG21 ' A' ' 48' ' ' ILE . 27.7 m-85 -113.03 125.6 54.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.97 123.3 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.619 ' O ' HG22 ' A' ' 66' ' ' VAL . 22.7 tp -114.46 113.58 24.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.454 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 4.9 m-85 -91.22 159.12 16.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -161.85 137.03 7.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -156.36 162.15 40.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 58' ' ' LYS . 10.3 tt0 -94.31 110.47 22.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' GLU . 13.9 tptp -33.86 104.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 128.32 -39.0 1.96 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.528 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -29.4 54.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.323 . . . . 0.0 111.084 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 64.02 25.04 13.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -151.11 118.04 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.71 157.65 16.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -114.72 -174.74 2.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.53 130.01 25.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 53' ' ' LEU . 23.1 m -128.23 138.83 53.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -73.45 123.98 24.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.545 HG12 ' H ' ' A' ' 70' ' ' SER . 87.4 t -130.48 123.89 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.2 m -110.96 37.01 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.545 ' H ' HG12 ' A' ' 68' ' ' VAL . 39.2 m -152.05 146.51 25.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -55.75 -32.22 63.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.8 p -120.13 150.12 41.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -141.89 157.57 44.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.9 m -128.88 113.93 15.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.2 mt -94.39 122.41 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.01 157.53 21.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.442 ' O ' HD23 ' A' ' 78' ' ' LEU . . . 88.83 56.13 2.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 77' ' ' GLY . 26.5 mt -129.28 168.31 16.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -82.45 166.43 19.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.516 ' HE2' HG22 ' A' ' 32' ' ' THR . 0.0 OUTLIER -93.95 146.86 23.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.5 t80 52.65 44.58 29.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.4 m -129.32 135.25 48.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -76.63 145.43 38.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -141.79 132.78 26.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.7 t -88.13 151.74 22.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -147.52 140.22 24.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.454 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 6.1 ptp180 -151.05 138.49 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 90.5 t -108.16 139.77 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.403 HG22 ' CB ' ' A' ' 99' ' ' SER . 86.8 t -135.64 143.78 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.61 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -96.52 122.73 39.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.122 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.547 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 21.2 m-85 -108.79 112.5 24.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.464 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 43.8 p-10 -124.28 161.52 25.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 92' ' ' ASN . 4.8 ptpp? -36.01 -41.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -62.78 -67.36 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.524 ' O ' HD22 ' A' ' 17' ' ' LEU . . . 174.03 172.22 39.1 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.547 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.5 Cg_endo -69.79 87.52 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.651 ' HA2' HD13 ' A' ' 17' ' ' LEU . . . -51.46 -174.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.462 HG21 ' HD3' ' A' ' 20' ' ' PRO . 28.3 m -42.98 166.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.343 . . . . 0.0 111.111 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.403 ' CB ' HG22 ' A' ' 89' ' ' VAL . 43.8 t -127.23 137.28 52.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.49 158.29 21.91 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.568 0.699 . . . . 0.0 111.165 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 130.97 20.28 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.679 2.253 . . . . 0.0 112.348 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -40.69 139.29 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 86.4 t -121.68 79.79 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.43 136.64 51.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.1 p -147.02 145.88 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 42.9 ttm-85 -101.05 131.04 47.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.492 HG23 HD11 ' A' ' 34' ' ' ILE . 2.4 p -72.01 171.96 10.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.176 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 46.6 mt -74.77 143.98 43.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.531 HD12 ' HD2' ' A' ' 18' ' ' PRO . 4.4 mm? . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.633 0.73 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HD2' HD12 ' A' ' 17' ' ' LEU . 54.2 Cg_endo -69.77 154.6 67.52 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.274 . . . . 0.0 112.33 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.23 167.25 54.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.856 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.7 Cg_endo -69.75 134.84 28.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.366 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -57.63 109.97 2.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.569 0.7 . . . . 0.0 111.118 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -178.4 2.32 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.419 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 24.1 m120 44.28 42.85 5.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.1 tp -76.92 102.59 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -111.94 163.0 14.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -160.75 127.0 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -143.49 148.63 36.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.66 109.45 20.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.076 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.78 -38.65 58.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.613 ' HA ' HD12 ' A' ' 108' ' ' LEU . 7.2 m -138.41 158.41 70.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.643 0.735 . . . . 0.0 110.844 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.95 2.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.8 p -131.95 -3.2 3.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 p -138.76 176.86 8.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.814 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.893 HD11 HG23 ' A' ' 107' ' ' THR . 62.3 mt -156.42 129.42 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.7 m -103.22 139.74 38.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.6 t -132.92 131.75 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.1 p -123.67 129.82 51.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.509 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 49.0 p90 -134.01 162.92 30.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.981 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.449 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 33.4 mm-40 -114.34 165.22 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.638 HG23 ' HD2' ' A' ' 41' ' ' PRO . 89.5 m -85.67 137.95 35.89 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.589 0.709 . . . . 0.0 111.173 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.638 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.82 124.6 11.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.917 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 49' ' ' GLN . 25.5 mm . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.784 0.326 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.446 ' N ' HG22 ' A' ' 48' ' ' ILE . 2.7 mp0 -118.48 -38.62 3.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -143.37 160.39 40.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -127.49 117.21 21.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.552 ' HD2' ' CE1' ' A' ' 91' ' ' TYR . 10.4 ttmm -90.27 131.91 35.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.7 tp -121.13 125.39 47.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 1.6 m-85 -103.21 148.1 26.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -151.58 133.12 14.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -157.18 162.23 39.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.576 ' HG3' ' CE2' ' A' ' 84' ' ' TYR . 33.7 mt-10 -82.21 136.81 35.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -59.88 101.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.86 42.95 2.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.469 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 m -124.27 -35.51 2.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 111.164 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t70 71.48 27.7 3.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -134.8 82.4 1.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.401 ' OE2' ' NE ' ' A' ' 87' ' ' ARG . 4.0 tt0 -73.38 150.47 41.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.409 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 21.4 mt-30 -122.93 -179.47 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -153.72 130.79 11.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.5 m -127.56 132.81 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -77.82 117.15 18.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.8 t -124.3 145.67 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.6 t -103.27 -36.48 8.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.6 m -80.82 172.11 14.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.509 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 16.8 m80 -79.73 -34.16 40.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.9 p -112.04 143.59 42.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -139.29 149.91 44.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.7 m -117.45 116.41 27.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.9 mt -95.53 118.18 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -105.78 172.06 7.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.3 56.45 4.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.446 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.401 HD12 HG13 ' A' ' 34' ' ' ILE . 38.9 mt -129.15 162.44 27.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -76.66 170.98 15.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -97.68 141.96 30.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.7 t80 55.87 44.09 26.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.4 m -127.01 136.03 51.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.158 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -79.0 144.83 34.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 57' ' ' GLU . 42.1 m-85 -140.75 130.15 23.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.0 t -84.31 149.64 25.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.418 ' CE2' HG21 ' A' ' 34' ' ' ILE . 79.0 m-85 -146.28 140.53 26.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.43 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 5.5 ptp180 -151.01 132.7 14.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 72.0 t -100.54 129.63 51.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.0 t -118.78 137.81 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.513 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -86.98 125.11 33.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 23.5 m-85 -121.41 108.2 13.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -117.69 171.25 8.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.596 ' HE3' ' CE1' ' A' ' 94' ' ' HIS . 38.7 pttt -42.66 -41.87 3.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.596 ' CE1' ' HE3' ' A' ' 93' ' ' LYS . 24.6 m80 -61.85 -70.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.528 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 177.03 -178.59 48.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.0 Cg_endo -69.69 125.65 12.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 0.0 112.387 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.437 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -93.59 -168.8 38.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.856 HG21 ' HD3' ' A' ' 20' ' ' PRO . 18.3 m -43.17 167.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.1 t -125.85 124.09 40.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.3 p -55.08 157.24 6.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 0.0 111.129 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 130.72 19.76 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.637 2.225 . . . . 0.0 112.327 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -38.55 133.99 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.562 ' O ' HG12 ' A' ' 103' ' ' VAL . 79.1 t -118.74 77.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.32 139.55 54.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.1 p -145.44 141.78 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.3 ttm105 -90.86 125.29 35.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.893 HG23 HD11 ' A' ' 34' ' ' ILE . 3.8 p -73.29 154.45 40.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 30' ' ' SER . 34.9 mt -56.93 141.86 43.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.663 HD23 ' HA2' ' A' ' 97' ' ' GLY . 1.4 mp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.687 0.756 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HD3' ' ND2' ' A' ' 92' ' ' ASN . 53.9 Cg_endo -69.78 -179.54 2.99 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.686 2.258 . . . . 0.0 112.345 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.28 168.73 13.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.695 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.6 Cg_endo -69.77 132.84 24.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -61.42 112.24 5.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.554 0.693 . . . . 0.0 111.126 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 23' ' ' ASN . 53.4 Cg_endo -69.77 -174.11 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.702 2.268 . . . . 0.0 112.34 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 22' ' ' PRO . 2.8 m-20 33.99 51.6 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.422 HD12 ' HB3' ' A' ' 38' ' ' TRP . 51.1 tp -82.32 106.22 14.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 mmm-85 -111.77 162.3 15.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.482 ' HB3' HG11 ' A' ' 103' ' ' VAL . . . -160.95 126.64 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -144.46 145.52 31.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' ' 107' ' ' THR . . . -87.42 107.51 18.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.54 -35.56 70.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 m -137.65 160.81 63.57 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.665 0.745 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -1.94 9.31 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.643 2.229 . . . . 0.0 112.388 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.3 p -126.42 -16.6 5.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.8 m -130.21 169.35 15.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.545 HD11 HG23 ' A' ' 107' ' ' THR . 94.1 mt -144.01 148.79 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 78.4 m -117.73 117.03 28.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.3 t -111.99 134.97 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 46.5 p -132.03 130.36 41.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.601 ' CZ2' ' O ' ' A' ' 71' ' ' HIS . 39.7 p90 -129.66 169.09 15.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.406 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 4.8 mm-40 -115.75 164.54 14.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.4 m -86.1 130.96 48.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 111.142 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 108.56 2.12 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.707 2.271 . . . . 0.0 112.326 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.159 179.894 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.715 HG21 ' CZ ' ' A' ' 51' ' ' TYR . 21.4 mm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.753 0.311 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -79.15 -54.1 6.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -141.83 154.71 45.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.715 ' CZ ' HG21 ' A' ' 48' ' ' ILE . 46.5 m-85 -108.5 137.83 45.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -107.97 135.04 50.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.663 ' O ' HG22 ' A' ' 66' ' ' VAL . 19.3 tp -131.67 115.5 16.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.551 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 1.5 m-85 -95.58 158.7 15.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -159.97 132.79 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.5 ptt? -158.68 162.1 37.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.411 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 19.6 tt0 -82.19 133.43 35.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -60.38 99.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.23 42.77 0.88 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.73 -32.31 1.48 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.747 0.308 . . . . 0.0 111.118 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 0.5 OUTLIER 67.84 26.43 7.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.48 75.67 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.0 149.59 49.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.551 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 69.8 mt-30 -121.69 175.1 6.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.02 130.79 15.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.663 HG22 ' O ' ' A' ' 53' ' ' LEU . 30.9 m -128.12 141.05 47.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -84.31 116.36 22.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.2 t -117.7 152.15 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.0 t -107.63 -37.51 6.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.6 m -95.52 155.17 16.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.601 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 71.5 m80 -60.61 -38.55 85.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.4 m -103.03 123.33 46.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -123.43 160.12 27.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 84.8 m -123.08 114.82 20.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.165 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.0 mt -95.06 114.77 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -108.38 150.76 26.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.99 55.95 1.55 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 65.8 mt -123.92 174.06 7.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.894 0.378 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -80.77 154.11 27.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -82.83 144.97 29.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.484 ' CE1' ' HD3' ' A' ' 106' ' ' ARG . 53.5 t80 42.11 46.05 3.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 34.5 m -127.87 136.81 51.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.174 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -70.66 148.53 47.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 35.8 m-85 -149.0 130.52 14.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 t -83.05 155.59 23.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -150.93 142.25 23.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.455 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 4.4 ptp180 -151.17 161.02 43.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.1 t -130.73 133.0 63.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.173 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 94.0 t -123.37 135.7 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.93 126.22 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 39.3 m-85 -117.23 106.94 13.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.418 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 51.4 p-10 -118.71 177.62 4.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -45.88 -49.25 15.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -55.59 -65.22 0.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 166.85 -179.85 40.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.553 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.0 Cg_endo -69.75 109.7 2.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.652 2.235 . . . . 0.0 112.377 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.663 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -80.09 -164.06 29.16 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.508 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.695 HG21 ' HD3' ' A' ' 20' ' ' PRO . 24.9 m -46.37 168.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.827 0.346 . . . . 0.0 111.145 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.4 t -126.73 131.18 51.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.7 p -57.7 158.09 12.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.552 0.691 . . . . 0.0 111.138 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 131.22 20.77 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.62 146.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.485 ' O ' HG12 ' A' ' 103' ' ' VAL . 77.4 t -126.33 78.84 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.37 126.14 28.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.3 p -137.26 146.37 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.484 ' HD3' ' CE1' ' A' ' 81' ' ' TYR . 37.3 ttm-85 -100.77 123.0 44.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.545 HG23 HD11 ' A' ' 34' ' ' ILE . 6.3 p -62.98 174.77 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 28.6 mt -75.04 150.99 38.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.912 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.54 HD13 ' HA2' ' A' ' 97' ' ' GLY . 39.2 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.633 0.73 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 165.88 29.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.46 169.29 25.98 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ALA . 53.3 Cg_endo -69.78 111.6 2.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.231 . . . . 0.0 112.326 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' PRO . . . -34.86 115.32 0.51 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 0.0 111.097 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 173.5 10.89 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.367 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.9 m120 47.31 49.62 15.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 tp -84.54 103.94 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -113.47 158.45 20.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.78 129.91 10.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -145.4 145.28 31.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 107' ' ' THR . . . -84.07 100.7 11.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.77 -46.09 83.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -130.03 162.35 54.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.691 0.758 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -3.76 12.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.745 2.296 . . . . 0.0 112.335 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.9 p -130.52 9.08 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -147.98 171.88 15.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.544 HD11 HG23 ' A' ' 107' ' ' THR . 80.8 mt -151.54 125.3 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.5 m -100.35 127.32 46.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.8 t -118.16 127.95 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.1 p -121.12 143.3 49.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 45.1 p90 -145.82 -178.65 6.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -122.29 166.26 14.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.488 HG23 ' HD2' ' A' ' 41' ' ' PRO . 74.9 m -84.34 134.62 42.62 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.537 0.684 . . . . 0.0 111.189 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.488 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.6 Cg_endo -69.79 145.48 57.12 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 42' ' ' VAL . 28.2 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.15 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.1 mm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.798 0.332 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -98.95 -57.7 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -144.14 172.45 12.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -122.29 118.84 29.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.455 ' HE2' ' CE1' ' A' ' 91' ' ' TYR . 5.0 tppt? -95.78 129.69 42.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.438 ' O ' HG22 ' A' ' 66' ' ' VAL . 64.6 tp -114.87 123.69 49.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.936 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.445 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 2.3 m-85 -104.84 154.32 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -160.27 130.54 5.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -156.23 154.92 31.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -82.02 130.73 35.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.17 96.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.89 39.09 0.67 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.444 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.82 -27.77 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 111.167 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 63.96 26.4 14.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -147.74 110.75 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.409 ' CD ' ' HB3' ' A' ' 54' ' ' TYR . 24.3 tt0 -106.11 151.04 25.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -117.22 169.96 9.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -130.84 128.79 41.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 53' ' ' LEU . 35.1 m -120.16 136.43 57.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.52 120.92 17.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.3 t -127.67 127.72 68.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.6 m -116.51 49.92 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.4 p -163.07 167.08 22.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -79.12 -23.76 43.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 94.0 p -130.83 127.57 38.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -131.01 143.73 50.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 87.3 m -112.96 127.35 56.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.11 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.424 HD11 HD21 ' A' ' 53' ' ' LEU . 44.8 mt -107.33 111.47 35.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -100.02 155.42 17.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.78 47.88 2.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.538 HD12 HG13 ' A' ' 34' ' ' ILE . 28.8 mt -121.86 157.56 30.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.871 0.367 . . . . 0.0 110.95 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -71.82 156.65 39.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.64 145.73 28.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.505 ' CD1' ' HB2' ' A' ' 109' ' ' SER . 4.0 t80 48.75 44.33 21.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.8 m -128.43 128.49 44.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -70.22 147.66 49.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -146.23 131.15 18.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 t -83.2 155.27 23.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.442 ' CE2' HG21 ' A' ' 34' ' ' ILE . 78.9 m-85 -149.52 136.98 20.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.445 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 12.0 ptp180 -151.17 134.12 15.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 88.8 t -104.99 135.44 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.562 HG22 ' HB2' ' A' ' 99' ' ' SER . 88.8 t -117.34 129.72 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.53 114.24 23.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.067 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 41.6 m-85 -99.2 108.01 20.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -107.8 158.97 16.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -39.6 -32.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -75.47 -63.4 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.46 172.77 45.56 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.565 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.1 Cg_endo -69.78 86.79 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.54 ' HA2' HD13 ' A' ' 17' ' ' LEU . . . -50.6 -179.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.3 m -41.86 163.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 111.118 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.562 ' HB2' HG22 ' A' ' 89' ' ' VAL . 31.9 t -123.98 136.68 54.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.1 p -51.81 153.31 4.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.708 . . . . 0.0 111.151 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 102' ' ' ASP . 53.7 Cg_endo -69.8 131.0 20.27 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 101' ' ' PRO . 4.5 p-10 -33.74 133.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.717 ' O ' HG12 ' A' ' 103' ' ' VAL . 41.3 t -120.32 75.37 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.98 142.8 58.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.4 p -150.02 144.38 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.2 ttm-85 -95.97 131.25 42.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.544 HG23 HD11 ' A' ' 34' ' ' ILE . 15.8 p -80.26 165.24 22.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.8 mt -69.27 139.73 54.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.505 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 40.0 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.531 HD12 ' HD2' ' A' ' 18' ' ' PRO . 4.5 mm? . . . . . 0 C--O 1.232 0.159 0 CA-C-O 121.629 0.728 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HD2' HD12 ' A' ' 17' ' ' LEU . 53.6 Cg_endo -69.75 170.75 15.84 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.734 2.289 . . . . 0.0 112.355 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.0 171.36 29.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.953 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.5 Cg_endo -69.79 123.92 10.56 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.661 2.24 . . . . 0.0 112.351 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.634 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -55.58 110.4 2.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.526 0.679 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -178.51 2.34 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.648 2.232 . . . . 0.0 112.383 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.48 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 22.9 m120 44.38 47.26 8.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.5 tp -80.92 103.8 10.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.971 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -111.9 158.05 19.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.56 127.1 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.507 ' CE2' ' HB ' ' A' ' 35' ' ' THR . 17.7 p90 -143.02 141.45 31.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.17 104.62 9.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.01 -29.35 62.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 m -151.46 159.29 33.63 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.663 0.744 . . . . 0.0 110.846 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 3.37 2.8 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.9 p -129.5 -8.3 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.44 ' C ' HG13 ' A' ' 34' ' ' ILE . 1.8 p -139.5 176.78 8.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.442 HD12 ' HZ ' ' A' ' 86' ' ' PHE . 95.4 mt -151.0 122.54 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.507 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 99.1 m -91.58 125.56 36.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 39.8 t -122.3 133.46 68.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.809 HG22 ' HB2' ' A' ' 72' ' ' SER . 68.4 p -126.23 130.29 50.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.54 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 41.2 p90 -131.43 166.64 20.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.634 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 47.1 mm-40 -116.03 165.12 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.563 HG23 ' HD2' ' A' ' 41' ' ' PRO . 87.2 m -85.81 136.59 36.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.537 0.684 . . . . 0.0 111.147 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.563 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.81 117.22 4.96 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.315 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.3 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.9 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.931 HD13 ' OD1' ' A' ' 92' ' ' ASN . 19.1 mm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.771 0.319 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -85.94 -55.25 4.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -146.49 163.43 35.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -112.67 136.36 52.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.443 ' HE2' ' CE1' ' A' ' 91' ' ' TYR . 1.3 tppt? -109.42 129.81 55.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.603 ' O ' HG22 ' A' ' 66' ' ' VAL . 24.4 tp -124.72 106.24 9.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.43 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 3.1 m-85 -86.8 159.04 19.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -158.43 136.41 10.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -156.9 161.57 39.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -84.72 135.8 33.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -59.24 103.15 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.8 38.93 1.49 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.535 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -128.49 -39.34 1.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.763 0.316 . . . . 0.0 111.144 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.2 t0 72.48 28.46 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -149.99 108.56 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -110.14 161.35 15.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -116.61 -176.33 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.59 131.02 35.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 66' ' ' VAL . 15.6 m -124.46 116.8 48.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.68 118.65 12.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.1 t -121.54 146.61 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.8 p -100.21 -39.21 8.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.1 m -83.04 162.16 21.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.54 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 13.2 m80 -64.15 -37.81 88.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.809 ' HB2' HG22 ' A' ' 37' ' ' THR . 2.6 t -109.45 152.38 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -151.09 156.33 40.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.4 m -119.08 122.49 42.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.6 mt -100.55 104.0 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.099 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.26 172.3 8.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.05 50.21 4.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.2 mt -125.22 176.54 6.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.92 0.39 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -83.08 161.45 21.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -87.85 137.67 32.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.581 ' CE1' ' HD3' ' A' ' 106' ' ' ARG . 6.7 t80 52.04 46.25 26.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.2 m -126.91 143.57 51.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.174 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -77.32 151.27 35.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -153.0 132.1 12.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 t -86.23 159.73 19.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.442 ' HZ ' HD12 ' A' ' 34' ' ' ILE . 96.2 m-85 -153.61 139.85 18.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.43 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 6.8 ptp180 -148.09 132.07 17.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 71.5 t -99.5 126.54 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.5 t -121.27 129.84 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.709 ' HB1' HD12 ' A' ' 48' ' ' ILE . . . -87.0 127.23 35.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 29.5 m-85 -112.58 106.91 15.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.931 ' OD1' HD13 ' A' ' 48' ' ' ILE . 10.2 m-20 -100.48 164.7 11.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -40.29 -29.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.448 ' N ' ' HG2' ' A' ' 93' ' ' LYS . 48.3 m-70 -75.53 -51.79 12.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.522 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 160.76 -166.2 35.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.45 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.555 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.5 Cg_endo -69.78 125.06 11.7 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.439 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -94.53 -162.53 35.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.953 HG21 ' HD3' ' A' ' 20' ' ' PRO . 30.4 m -41.98 165.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 0.0 111.113 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.1 t -123.99 119.25 29.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 p -56.79 157.26 10.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.514 0.673 . . . . 0.0 111.188 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 130.39 19.31 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.731 2.288 . . . . 0.0 112.346 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.22 145.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.54 ' O ' HG12 ' A' ' 103' ' ' VAL . 76.5 t -130.7 79.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.09 138.62 47.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.6 p -150.49 147.03 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.581 ' HD3' ' CE1' ' A' ' 81' ' ' TYR . 34.1 ttm-85 -95.37 130.2 42.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.5 p -72.01 176.49 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 23.0 mt -83.55 156.63 22.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.954 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.537 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 4.4 mm? . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.617 0.723 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.517 ' HD2' ' CD1' ' A' ' 17' ' ' LEU . 53.9 Cg_endo -69.76 156.08 64.25 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.66 172.78 50.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.755 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.8 Cg_endo -69.75 143.83 52.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.648 2.232 . . . . 0.0 112.392 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -70.93 115.92 41.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.582 0.706 . . . . 0.0 111.08 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -176.16 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.636 2.224 . . . . 0.0 112.329 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.421 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 23.9 m120 39.33 50.27 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.9 tp -85.7 101.22 12.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -109.92 163.36 13.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.412 ' CB ' HG11 ' A' ' 103' ' ' VAL . . . -158.82 129.6 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -150.18 142.24 23.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.55 112.19 19.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.39 -27.32 38.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.059 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 m -141.66 157.3 65.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.699 0.762 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -1.28 8.22 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.364 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.5 p -129.1 -6.45 4.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.162 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -138.79 172.14 13.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.512 HD11 HG23 ' A' ' 107' ' ' THR . 97.1 mt -146.98 142.64 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 79.0 m -111.21 126.0 54.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.2 t -120.04 134.28 64.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.8 p -130.5 139.65 50.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 30.4 p90 -141.99 179.57 6.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.425 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 4.7 mm-40 -126.03 165.21 19.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.472 HG23 ' HD2' ' A' ' 41' ' ' PRO . 38.0 m -85.43 134.06 41.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 111.114 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.472 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.79 118.51 5.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 2.229 . . . . 0.0 112.33 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.8 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.9 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.657 HG21 ' CE1' ' A' ' 51' ' ' TYR . 28.9 mm . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.78 0.324 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -86.93 -65.75 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -136.94 161.89 34.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.657 ' CE1' HG21 ' A' ' 48' ' ' ILE . 52.8 m-85 -115.38 122.99 47.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.43 141.99 28.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.845 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.454 ' O ' HG22 ' A' ' 66' ' ' VAL . 18.6 tp -134.64 130.99 37.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.447 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 4.4 m-85 -111.41 162.81 14.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -160.56 131.98 5.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -151.94 162.1 41.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -90.59 130.87 36.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -54.94 98.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.17 32.92 1.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.506 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -123.55 -26.83 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 60.43 31.03 20.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -157.89 112.5 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -108.19 158.06 17.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.447 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 21.2 mm100 -109.89 -177.91 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.94 132.48 32.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 53' ' ' LEU . 16.1 m -129.23 140.44 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -73.35 132.63 43.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.598 HG22 ' CD2' ' A' ' 73' ' ' TYR . 85.2 t -138.83 129.23 33.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.2 m -121.89 44.25 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.821 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.422 ' H ' HG12 ' A' ' 68' ' ' VAL . 21.5 p -163.98 165.28 22.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.451 ' HE2' ' HG1' ' A' ' 40' ' ' THR . 49.9 m80 -83.44 9.61 10.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 94.8 p -147.69 132.06 17.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.598 ' CD2' HG22 ' A' ' 68' ' ' VAL . 47.6 t80 -141.54 156.08 45.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 34.7 m -131.66 121.21 23.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 77.0 mt -100.09 120.72 49.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -111.95 159.47 18.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.63 51.12 2.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 54.0 mt -121.78 173.79 7.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.863 0.364 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -83.66 165.79 18.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -90.16 142.78 27.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.7 t80 48.24 49.28 17.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.2 m -131.35 145.65 51.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -81.91 152.88 26.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -151.67 129.59 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 t -84.61 154.51 22.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -147.22 138.47 23.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -148.57 139.67 23.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.0 t -108.23 141.74 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.4 t -133.31 131.28 57.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.09 130.37 34.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 34.9 m-85 -118.65 120.45 37.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.504 HD21 HD13 ' A' ' 48' ' ' ILE . 4.5 m-20 -127.25 168.26 14.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.456 ' HE3' ' CE1' ' A' ' 94' ' ' HIS . 29.3 pttt -39.7 -44.53 1.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.456 ' CE1' ' HE3' ' A' ' 93' ' ' LYS . 12.2 m-70 -61.78 -60.53 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 164.9 -175.81 40.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.449 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.4 Cg_endo -69.73 129.25 17.3 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.386 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.455 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -90.03 -150.85 24.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.755 HG21 ' HD3' ' A' ' 20' ' ' PRO . 20.0 m -60.54 -179.8 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 111.089 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.4 t -135.91 115.19 12.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -47.67 160.37 0.39 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.641 0.734 . . . . 0.0 111.086 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 134.06 27.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -44.08 133.71 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.467 ' O ' HG12 ' A' ' 103' ' ' VAL . 73.8 t -117.37 83.53 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -78.02 137.72 38.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.111 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.3 p -149.9 145.59 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.5 ttm-85 -95.26 133.07 39.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.512 HG23 HD11 ' A' ' 34' ' ' ILE . 14.7 p -76.98 171.23 15.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.1 mt -74.2 153.52 39.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.8 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.935 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.5 m -96.58 96.09 8.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 0.0 110.793 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -93.15 146.19 23.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 168.25 -40.55 0.23 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.427 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 4' ' ' GLY . 3.7 t -35.14 109.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 p -120.43 173.95 6.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.68 139.82 13.81 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.542 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -89.17 75.86 7.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.909 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 9' ' ' VAL . 26.4 m -129.56 119.83 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -84.06 37.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.5 p -144.21 179.64 7.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.127 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -135.25 144.65 50.74 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.549 0.69 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -163.94 0.12 Allowed 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.655 2.237 . . . . 0.0 112.348 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -52.28 -176.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.464 ' O ' HG12 ' A' ' 15' ' ' VAL . 39.0 t -119.42 -8.94 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.415 ' O ' HD12 ' A' ' 17' ' ' LEU . 31.3 mt-30 -128.76 76.19 1.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.465 HD23 ' HA2' ' A' ' 97' ' ' GLY . 0.6 OUTLIER -121.96 159.84 49.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.719 . . . . 0.0 110.899 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.494 ' CG ' ' HB3' ' A' ' 90' ' ' ALA . 53.9 Cg_endo -69.72 161.66 45.07 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.716 2.278 . . . . 0.0 112.331 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.91 176.68 27.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.507 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.728 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.4 Cg_endo -69.76 130.89 20.12 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -68.11 113.39 14.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.546 0.689 . . . . 0.0 111.108 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -177.37 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.4 m120 42.73 51.25 5.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.6 tp -89.8 102.79 15.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.1 mmm-85 -116.3 156.91 25.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.91 127.2 9.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -141.73 140.84 33.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.68 101.22 6.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.81 -21.36 62.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -156.94 160.8 30.47 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.666 0.746 . . . . 0.0 110.843 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -3.82 12.8 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.636 2.224 . . . . 0.0 112.356 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.42 HG22 ' HE3' ' A' ' 80' ' ' LYS . 60.6 p -130.9 1.55 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.79 169.05 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.458 HD11 HG23 ' A' ' 107' ' ' THR . 95.9 mt -150.2 134.37 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 45.9 m -104.98 130.56 53.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.6 t -123.61 127.7 74.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.2 p -123.25 131.41 53.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 44.5 p90 -138.96 167.77 21.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.554 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 9.7 mm-40 -117.43 165.34 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.671 HG23 ' HD2' ' A' ' 41' ' ' PRO . 90.1 m -85.56 138.79 35.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.613 0.72 . . . . 0.0 111.152 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.9 Cg_endo -69.75 132.13 22.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.4 m -64.78 -19.39 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 t -105.85 134.62 48.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.35 157.95 8.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -93.57 124.75 37.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.838 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.11 -125.73 34.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.435 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -133.88 152.41 51.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.853 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.681 HD12 ' HB1' ' A' ' 90' ' ' ALA . 21.5 mm -77.05 119.18 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -54.89 -57.95 9.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -149.94 151.22 33.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -96.66 121.95 39.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -92.47 116.05 28.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.678 ' O ' HG22 ' A' ' 66' ' ' VAL . 27.5 tp -106.88 108.59 20.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.437 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 2.2 m-85 -86.06 154.86 21.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -159.52 133.13 7.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -155.76 161.55 40.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -91.0 134.14 34.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -55.46 100.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.59 37.1 1.34 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.448 ' O ' ' CG ' ' A' ' 61' ' ' ASP . 0.6 OUTLIER -126.41 -26.38 3.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.325 . . . . 0.0 111.14 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 60' ' ' THR . 1.2 p30 53.28 25.28 4.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -131.86 70.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -61.62 152.75 29.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -124.78 -174.84 3.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -152.83 135.81 15.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 53' ' ' LEU . 29.3 m -128.45 137.46 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -71.7 124.43 24.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.515 HG12 ' H ' ' A' ' 70' ' ' SER . 42.4 t -143.78 136.99 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.2 p -125.45 39.07 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.515 ' H ' HG12 ' A' ' 68' ' ' VAL . 13.7 p -143.08 169.88 16.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -95.88 24.27 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.1 p -169.59 120.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -135.44 145.34 47.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.4 m -115.43 125.41 53.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.134 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.7 mt -103.5 106.87 20.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.171 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -94.6 -179.98 5.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.27 51.98 19.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.8 mt -126.88 164.6 21.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.892 0.377 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -74.16 168.91 18.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.42 ' HE3' HG22 ' A' ' 32' ' ' THR . 0.6 OUTLIER -100.06 129.07 46.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.469 ' CD1' ' HB2' ' A' ' 109' ' ' SER . 22.9 t80 70.63 25.11 4.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.9 m -108.7 144.72 36.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.182 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -83.64 151.11 25.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -150.72 127.51 10.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 t -82.76 151.01 26.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -145.28 139.36 27.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.437 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 9.8 ptp180 -150.57 138.12 19.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 98.8 t -102.51 142.93 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.8 t -138.26 135.61 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.681 ' HB1' HD12 ' A' ' 48' ' ' ILE . . . -90.8 123.83 34.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.489 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 28.7 m-85 -114.1 112.86 23.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -125.26 171.61 10.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 94' ' ' HIS . 7.0 pttm -43.91 -43.03 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 93' ' ' LYS . 98.0 m-70 -60.53 -69.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 169.5 172.81 36.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.425 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.489 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.8 Cg_endo -69.76 105.42 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.372 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.465 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -75.15 -167.01 19.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.728 HG21 ' HD3' ' A' ' 20' ' ' PRO . 18.8 m -41.04 160.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.342 . . . . 0.0 111.187 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.8 t -121.72 133.97 54.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.85 160.45 15.31 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.586 0.708 . . . . 0.0 111.142 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 138.08 37.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.651 2.234 . . . . 0.0 112.385 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -49.42 138.91 12.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.3 t -122.01 87.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.98 135.96 35.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.5 p -148.38 138.28 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.6 ttm-85 -90.72 137.59 32.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.458 HG23 HD11 ' A' ' 34' ' ' ILE . 14.9 p -78.79 166.44 22.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 51.0 mt -68.43 146.68 52.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.469 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 15.2 t -97.41 122.12 40.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.11 -32.02 69.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.0 t -44.37 -54.47 5.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 174.4 172.54 39.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 114' ' ' SER . 54.3 Cg_endo -69.8 2.84 3.19 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.677 2.251 . . . . 0.0 112.35 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 113' ' ' PRO . 59.6 m -34.62 107.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.5 t -59.69 138.42 57.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -72.86 146.08 46.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.88 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.4 m -65.06 108.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.78 -157.94 2.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t -167.99 157.47 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 110.879 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -75.41 152.62 37.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.7 -125.6 3.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.424 ' NH1' ' HB2' ' A' ' 8' ' ' ARG . 10.4 ttm105 -154.65 161.11 41.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.844 0.354 . . . . 0.0 110.846 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.7 m -113.92 133.82 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.3 -178.12 4.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.9 p -109.06 162.71 13.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -174.26 146.08 1.09 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.641 0.734 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 174.26 9.81 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -94.56 131.61 40.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.523 ' HB ' HD13 ' A' ' 17' ' ' LEU . 2.3 t -141.75 167.17 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.517 ' H ' HG12 ' A' ' 15' ' ' VAL . 2.3 pm0 -81.02 46.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.626 HD23 ' HA2' ' A' ' 97' ' ' GLY . 0.6 OUTLIER -79.0 161.43 68.5 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.591 0.71 . . . . 0.0 110.948 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 172.21 13.07 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.679 2.253 . . . . 0.0 112.316 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.79 175.22 24.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.56 ' HD3' HG21 ' A' ' 98' ' ' VAL . 54.1 Cg_endo -69.76 130.58 19.59 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.266 . . . . 0.0 112.338 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -54.59 115.28 8.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.517 0.675 . . . . 0.0 111.073 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -178.32 2.29 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 40.95 49.23 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.455 ' CD2' HG21 ' A' ' 103' ' ' VAL . 26.8 tp -76.26 102.02 5.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.77 133.19 45.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.7 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -132.59 133.61 43.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -132.38 137.29 47.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.72 109.45 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.82 -27.93 63.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -150.99 161.64 29.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.683 0.754 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 0.53 5.5 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.319 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.0 p -129.69 -2.58 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.3 p -141.43 174.57 10.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.602 HD11 HG23 ' A' ' 107' ' ' THR . 96.2 mt -151.33 132.17 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.3 m -104.82 98.59 8.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.7 HG13 ' HB2' ' A' ' 26' ' ' ALA . 18.7 t -88.11 137.67 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.1 p -126.38 156.44 40.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.631 ' CG ' HG21 ' A' ' 88' ' ' VAL . 48.2 p90 -163.06 158.13 21.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.556 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 15.6 mm-40 -109.14 165.07 11.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.455 HG23 ' HD2' ' A' ' 41' ' ' PRO . 87.6 m -85.94 133.5 41.15 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.592 0.711 . . . . 0.0 111.13 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.455 ' HD2' HG23 ' A' ' 40' ' ' THR . 54.1 Cg_endo -69.72 109.86 2.41 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.235 . . . . 0.0 112.387 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.457 HG23 ' N ' ' A' ' 43' ' ' SER . 17.8 m -47.42 -41.58 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.157 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.457 ' N ' HG23 ' A' ' 42' ' ' VAL . 18.8 m -70.83 173.21 7.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.28 -166.51 12.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -138.34 128.6 25.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.36 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.17 -149.37 39.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -119.59 148.3 43.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.869 0.366 . . . . 0.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.433 HD12 ' HB1' ' A' ' 90' ' ' ALA . 13.0 mm -72.55 135.32 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -80.69 -46.46 15.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -159.19 165.77 32.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -116.2 117.49 30.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.403 ' HE2' ' CE1' ' A' ' 91' ' ' TYR . 2.1 tppt? -91.38 118.1 30.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.839 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.634 ' O ' HG22 ' A' ' 66' ' ' VAL . 14.6 tp -108.09 122.81 47.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 1.9 m-85 -103.79 156.28 17.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.477 ' CG ' HD13 ' A' ' 75' ' ' ILE . 18.7 p90 -158.61 133.55 8.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -152.43 160.62 43.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.826 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -89.84 133.53 34.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -57.25 98.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 116.7 39.26 0.85 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.478 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.51 -29.21 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 111.14 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.0 t0 65.43 31.82 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -151.0 115.29 5.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -97.22 152.11 19.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.596 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 68.2 mt-30 -116.1 -179.49 3.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -150.06 138.04 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 53' ' ' LEU . 5.0 m -133.8 148.8 30.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -84.66 123.55 30.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.406 HG11 ' HB2' ' A' ' 73' ' ' TYR . 7.4 t -130.09 129.68 65.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.8 m -97.02 -23.26 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -101.94 165.76 11.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -82.69 12.75 4.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.1 p -150.64 118.04 6.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.406 ' HB2' HG11 ' A' ' 68' ' ' VAL . 66.3 t80 -123.91 157.84 33.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.9 m -127.2 121.72 32.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.477 HD13 ' CG ' ' A' ' 55' ' ' TYR . 80.8 mt -99.33 122.39 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -108.39 158.21 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.47 51.05 2.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.0 mt -126.89 167.55 15.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -83.22 160.33 21.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -83.04 136.23 34.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.6 t80 58.69 43.36 18.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.2 m -122.57 136.91 55.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -77.14 149.29 35.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -148.76 127.45 12.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -83.0 138.67 33.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -135.64 138.16 42.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -146.31 131.65 18.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.631 HG21 ' CG ' ' A' ' 38' ' ' TRP . 25.6 t -96.67 142.12 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 84.8 t -133.24 131.3 58.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.433 ' HB1' HD12 ' A' ' 48' ' ' ILE . . . -87.45 131.79 34.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 19.6 m-85 -122.04 117.66 26.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.2 p-10 -134.88 167.4 20.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -39.58 -39.92 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.401 ' CD2' ' HD2' ' A' ' 93' ' ' LYS . 43.6 m80 -60.83 -67.43 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 166.23 172.85 34.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.571 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.3 Cg_endo -69.75 97.69 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.626 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -65.02 -169.33 2.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.56 HG21 ' HD3' ' A' ' 20' ' ' PRO . 10.9 m -47.11 175.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.4 t -127.38 135.86 51.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.55 157.94 12.56 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.569 0.699 . . . . 0.0 111.133 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 132.86 24.31 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.357 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -38.8 133.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.455 HG21 ' CD2' ' A' ' 24' ' ' LEU . 57.7 t -118.87 83.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -78.34 124.75 28.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.9 p -134.15 144.31 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 106' ' ' ARG . 13.4 ttm105 -93.11 130.79 38.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.602 HG23 HD11 ' A' ' 34' ' ' ILE . 14.3 p -75.36 174.0 10.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 45.2 mt -78.6 150.97 32.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t -98.19 118.89 35.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.831 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -86.8 -59.79 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 t -80.51 132.34 35.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -91.06 143.37 16.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 151.18 68.73 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.63 2.22 . . . . 0.0 112.318 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 52.5 p -116.95 161.89 18.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.7 t -157.86 140.46 14.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 p -132.3 -43.67 0.94 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.892 0.377 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.4 p -50.39 -48.79 55.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.894 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.87 -171.04 14.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.528 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 m -137.34 129.46 29.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.3 m -71.31 162.56 29.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.21 125.47 0.79 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -131.78 108.98 9.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.5 t -116.3 127.07 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -141.76 158.05 44.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.5 m -151.98 144.6 24.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.12 132.05 51.72 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.548 0.689 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -166.31 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.639 2.226 . . . . 0.0 112.347 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.889 ' O ' HD22 ' A' ' 17' ' ' LEU . 1.8 mp0 -118.83 173.16 7.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.5 m -75.86 160.78 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 74.33 42.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.889 HD22 ' O ' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -118.05 158.91 44.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.419 ' HD3' ' ND2' ' A' ' 92' ' ' ASN . 53.8 Cg_endo -69.69 -172.61 0.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.72 2.28 . . . . 0.0 112.382 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -124.22 175.98 16.94 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.569 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.8 Cg_endo -69.8 121.88 8.56 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.678 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -54.09 118.5 15.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 0.0 111.058 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -175.16 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.695 2.264 . . . . 0.0 112.303 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.458 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 28.7 m120 39.4 49.98 1.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.4 tp -83.37 101.29 11.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.76 148.23 36.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.35 127.05 12.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -143.65 151.86 40.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.4 ' CB ' ' HA ' ' A' ' 107' ' ' THR . . . -86.28 105.83 16.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.96 -9.11 58.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.077 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -169.9 161.13 6.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.673 0.749 . . . . 0.0 110.859 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -2.37 10.06 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.0 p -130.36 -4.05 4.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.1 p -135.62 170.59 15.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.653 HD11 HG23 ' A' ' 107' ' ' THR . 37.1 mt -154.07 119.93 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.5 m -90.44 135.89 33.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.8 t -130.75 121.49 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.471 HG22 ' HB2' ' A' ' 72' ' ' SER . 22.3 p -119.23 137.59 53.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.483 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 49.7 p90 -141.6 172.14 13.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.678 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 65.3 mm-40 -119.01 165.01 14.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.4 m -85.88 131.61 46.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.566 0.698 . . . . 0.0 111.174 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 115.47 4.11 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.674 2.249 . . . . 0.0 112.379 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.3 m -58.2 -16.04 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.1 t -98.67 136.53 38.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.87 168.78 16.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -109.21 126.39 53.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.62 -137.34 18.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -135.2 138.68 43.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.0 mm -55.77 144.23 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -102.08 -46.08 4.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -155.01 154.02 31.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -107.03 121.16 43.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.1 tptt -90.8 110.54 21.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.7 tp -104.08 120.83 41.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.532 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 6.0 m-85 -100.41 157.13 16.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -162.06 134.48 5.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -156.61 162.35 39.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 58' ' ' LYS . 26.0 tt0 -91.65 100.63 13.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 57' ' ' GLU . 14.3 tptt -33.68 101.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 128.12 -0.09 6.52 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.72 -27.87 11.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.811 0.339 . . . . 0.0 111.194 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.13 25.08 15.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -121.04 71.61 0.95 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -61.87 145.67 52.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.532 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 45.5 mt-30 -126.44 179.47 5.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 p30 -147.62 139.78 24.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 66' ' ' VAL . 5.4 m -133.94 131.07 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.49 121.45 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 69' ' ' SER . 72.2 t -119.47 155.37 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.451 ' N ' HG12 ' A' ' 68' ' ' VAL . 47.5 t -116.3 -35.81 4.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -89.3 165.35 14.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.483 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 20.0 m80 -69.32 -24.2 63.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.471 ' HB2' HG22 ' A' ' 37' ' ' THR . 28.9 p -124.88 141.0 52.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -138.03 142.7 40.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.7 m -112.35 125.39 54.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 69.0 mt -99.53 134.33 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.65 158.42 24.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.09 56.83 1.99 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.0 mt -128.86 161.88 28.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.871 0.367 . . . . 0.0 110.918 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -73.8 174.5 8.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -104.88 137.77 42.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.581 ' CD1' ' HB2' ' A' ' 109' ' ' SER . 5.2 t80 59.38 44.3 15.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.7 m -130.4 142.63 50.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.129 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -75.53 151.87 37.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -148.45 126.26 11.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 t -86.38 146.29 26.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -143.36 137.41 28.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.413 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 25.9 ptt180 -148.72 133.3 17.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 80.0 t -103.06 145.03 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 41.3 t -136.88 137.12 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.31 132.84 33.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.54 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 16.4 m-85 -122.79 114.24 20.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 94' ' ' HIS . 43.8 p-10 -126.01 155.1 41.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 92' ' ' ASN . 24.2 pttt -35.33 -34.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.443 ' CD2' ' H ' ' A' ' 94' ' ' HIS . 13.3 m-70 -66.75 -56.61 9.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 158.14 166.04 16.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.54 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.4 Cg_endo -69.81 115.35 4.06 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.301 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.469 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -74.68 -140.35 0.66 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.569 HG21 ' HD3' ' A' ' 20' ' ' PRO . 18.0 m -69.68 -177.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 111.178 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.4 t -135.45 124.94 24.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.1 p -50.54 156.07 1.65 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.089 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 131.16 20.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.363 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -39.08 130.57 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.1 t -116.44 85.17 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.88 132.43 40.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.87 138.81 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -92.82 131.92 37.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.653 HG23 HD11 ' A' ' 34' ' ' ILE . 11.5 p -75.83 172.57 12.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.6 mt -77.57 146.01 36.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.581 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 4.3 t -92.94 126.45 38.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -81.45 121.48 26.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 77.9 p -86.54 -43.48 12.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 130.55 -87.94 0.3 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 176.63 6.53 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 t -157.5 114.99 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.3 m -151.9 144.14 23.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -154.27 175.33 13.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 0.0 110.905 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 t -154.91 169.77 23.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.91 156.14 8.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -106.68 129.47 54.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t -143.2 135.32 27.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.44 158.51 1.24 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -55.93 138.62 48.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.7 t -100.21 132.97 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -138.68 153.14 48.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 92.4 m -129.02 117.22 20.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -40.9 146.48 0.47 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.556 0.693 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 175.55 7.97 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.673 2.249 . . . . 0.0 112.307 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -136.16 170.06 16.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.3 m -104.1 174.7 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 60.02 37.99 20.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.449 HD23 ' HA2' ' A' ' 97' ' ' GLY . 1.3 mp -79.15 160.69 70.38 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.647 0.737 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.489 ' HB3' ' CD1' ' A' ' 48' ' ' ILE . 53.8 Cg_endo -69.76 -176.27 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.71 177.94 16.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 128.71 16.46 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.387 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -58.34 110.22 2.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.733 . . . . 0.0 111.094 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -178.39 2.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.5 m120 43.41 43.95 4.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.529 ' CD2' HG21 ' A' ' 103' ' ' VAL . 27.7 tp -77.12 105.67 8.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -133.78 130.25 37.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.89 140.77 52.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -143.39 137.07 28.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.01 105.9 11.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.088 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.28 -27.08 64.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 m -147.69 160.18 39.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.658 0.742 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -5.05 15.28 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.659 2.239 . . . . 0.0 112.378 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.3 p -124.34 -6.91 7.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.8 m -143.57 153.99 43.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.571 HD11 HG23 ' A' ' 107' ' ' THR . 96.2 mt -130.4 151.38 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.6 m -117.73 99.34 6.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -89.86 131.32 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.62 155.85 40.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.485 ' HB3' HD12 ' A' ' 24' ' ' LEU . 48.6 p90 -162.85 165.2 25.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.417 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 24.8 mm-40 -113.49 165.13 12.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.5 m -85.89 132.67 43.28 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.579 0.704 . . . . 0.0 111.146 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 120.17 7.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.1 m -77.97 -23.71 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.3 t -63.2 -43.21 98.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.35 164.6 1.52 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.2 OUTLIER -85.54 158.98 20.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.366 . . . . 0.0 110.902 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . 35.7 -132.4 0.7 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.441 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -126.29 143.55 51.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.751 HD13 HD21 ' A' ' 92' ' ' ASN . 26.1 mm -67.24 137.52 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -73.34 -59.67 2.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -136.82 170.24 16.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -126.19 132.78 51.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.479 ' HD2' ' CE1' ' A' ' 91' ' ' TYR . 15.8 tttt -108.96 127.04 53.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.7 tp -118.62 134.58 55.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.957 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.498 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 19.2 m-85 -111.23 161.45 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.407 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 26.5 p90 -159.43 126.69 4.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -150.45 160.68 43.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -87.87 133.31 33.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -55.65 99.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.66 30.08 1.92 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.496 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.14 -31.23 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 111.107 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 63.23 25.31 14.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -149.99 105.02 3.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -104.65 157.53 17.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.498 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 47.8 mt-30 -112.27 -177.46 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.35 130.02 27.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 66' ' ' VAL . 31.0 m -121.5 126.98 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -71.93 119.36 16.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.1 t -126.03 151.85 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.7 p -111.28 -36.42 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.6 m -82.21 173.44 12.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -85.18 -26.35 26.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.6 p -118.12 117.4 29.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -111.31 155.83 22.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 89.6 m -123.54 109.43 13.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.2 mt -89.61 127.47 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -117.46 150.66 38.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.58 52.51 1.42 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.5 mt -126.87 161.11 29.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -73.05 172.99 10.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -98.47 137.56 36.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.937 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.2 t80 58.54 36.56 25.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.969 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.1 m -118.04 137.91 52.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.117 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -82.42 150.58 27.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -149.07 132.68 16.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.9 t -83.17 138.21 33.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.835 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -134.14 137.17 44.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -145.13 143.73 30.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 71.4 t -111.34 133.68 56.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 88.9 t -121.8 140.8 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -96.82 138.24 34.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.552 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 27.3 m-85 -129.57 122.05 28.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.751 HD21 HD13 ' A' ' 48' ' ' ILE . 27.1 m-20 -130.45 171.95 12.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.54 -41.59 41.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -62.38 -60.01 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 165.52 170.67 30.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.552 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.6 Cg_endo -69.73 113.44 3.37 Favored 'Trans proline' 0 C--O 1.231 0.125 0 C-N-CA 122.71 2.273 . . . . 0.0 112.36 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.449 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -72.54 -139.87 0.33 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.6 m -79.04 179.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 111.123 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.2 t -128.7 136.35 50.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.2 p -60.98 158.71 32.3 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.622 0.725 . . . . 0.0 111.131 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 131.06 20.43 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -38.94 132.37 1.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.529 HG21 ' CD2' ' A' ' 24' ' ' LEU . 71.7 t -118.01 79.75 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.59 135.83 47.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.5 p -144.02 146.13 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -102.37 127.04 49.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.571 HG23 HD11 ' A' ' 34' ' ' ILE . 18.8 p -69.49 178.48 2.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.178 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 25.1 mt -78.6 155.17 29.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.4 t -106.22 127.97 53.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -77.79 82.98 4.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.6 m -100.53 168.1 9.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.63 144.78 7.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -8.6 24.01 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.7 m -149.94 152.47 35.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -40.69 152.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 t -158.63 138.67 12.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 110.863 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.5 t -139.44 107.78 5.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.81 -175.71 25.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.7 m -105.08 149.45 25.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 t -87.85 138.64 31.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.21 98.56 0.19 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -139.52 155.24 47.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.0 m -98.52 170.19 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -114.25 102.12 9.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.6 m -96.97 100.42 11.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -51.99 136.05 37.85 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.579 0.704 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -174.94 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.681 2.254 . . . . 0.0 112.33 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.427 ' HG3' ' NE2' ' A' ' 16' ' ' GLN . 7.4 mm-40 -125.19 -178.46 4.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.0 p -117.98 -18.44 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' NE2' ' HG3' ' A' ' 14' ' ' GLU . 7.9 pm0 -93.0 33.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.672 HD23 ' HA2' ' A' ' 97' ' ' GLY . 2.5 mp -102.45 161.14 24.19 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.613 0.721 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 173.86 10.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.246 . . . . 0.0 112.328 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -107.88 172.11 16.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.535 ' HD3' HG21 ' A' ' 98' ' ' VAL . 54.1 Cg_endo -69.76 122.89 9.56 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.77 107.04 0.72 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 111.047 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -176.02 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.734 2.289 . . . . 0.0 112.346 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.459 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 26.3 m120 39.35 44.5 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 38' ' ' TRP . 19.7 tp -77.28 103.8 7.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -132.35 138.17 47.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.528 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -132.36 133.58 44.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -132.52 132.57 42.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.76 113.98 13.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.71 -27.82 36.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.5 m -146.31 160.61 41.83 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.644 0.735 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -8.6 24.02 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.733 2.289 . . . . 0.0 112.331 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.408 HG22 ' NZ ' ' A' ' 80' ' ' LYS . 20.0 p -125.51 0.94 7.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 m -147.27 149.1 32.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.552 HD11 HG23 ' A' ' 107' ' ' THR . 81.9 mt -130.22 147.56 33.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.3 m -116.53 96.8 5.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.528 HG13 ' HB2' ' A' ' 26' ' ' ALA . 21.0 t -84.13 137.9 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 p -128.0 155.72 43.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.474 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 48.9 p90 -162.04 160.8 27.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.459 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 20.5 mm-40 -107.72 165.12 11.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.421 HG23 ' HD2' ' A' ' 41' ' ' PRO . 76.4 m -85.98 133.05 41.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.63 0.729 . . . . 0.0 111.135 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.421 ' HD2' HG23 ' A' ' 40' ' ' THR . 54.2 Cg_endo -69.73 123.53 10.2 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.713 2.275 . . . . 0.0 112.382 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.4 m -74.18 -13.47 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.8 m -97.63 105.02 17.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.21 158.98 21.61 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -114.71 -39.48 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.45 158.25 26.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.451 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.443 ' C ' ' OD1' ' A' ' 92' ' ' ASN . 13.5 tm-20 -85.49 124.87 32.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.782 0.325 . . . . 0.0 110.924 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.655 HD13 ' OD1' ' A' ' 92' ' ' ASN . 17.0 mm -53.88 105.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -60.42 -38.56 84.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -164.82 153.56 12.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -99.3 118.21 35.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.49 129.29 37.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.937 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.506 ' O ' HG22 ' A' ' 66' ' ' VAL . 21.5 tp -122.7 119.39 30.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.465 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 1.9 m-85 -100.46 157.86 16.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -161.04 128.67 4.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -149.2 161.82 41.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -90.27 129.09 36.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -53.44 100.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.24 34.6 1.44 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 m -121.64 -28.15 4.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.348 . . . . 0.0 111.188 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 64.01 29.08 14.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -147.18 106.66 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -88.94 146.16 25.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.465 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 68.3 mt-30 -113.67 179.2 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.954 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -149.13 133.26 17.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 53' ' ' LEU . 17.5 m -131.56 136.79 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -70.48 127.33 32.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.1 t -131.24 126.66 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 m -105.47 53.49 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -173.74 179.19 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -90.76 -24.07 20.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.7 p -128.38 118.44 23.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -117.28 163.75 15.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.9 m -129.13 117.78 21.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 97.7 mt -99.36 122.33 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -111.11 158.68 18.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.64 48.42 2.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.444 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 47.2 mt -124.43 170.11 11.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.909 0.385 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -82.43 175.43 10.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.408 ' NZ ' HG22 ' A' ' 32' ' ' THR . 0.4 OUTLIER -102.9 142.4 34.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.423 ' CD1' ' HB3' ' A' ' 109' ' ' SER . 3.3 t80 58.91 28.29 17.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.6 m -113.43 137.5 51.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.101 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -80.02 149.29 30.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -145.13 133.74 22.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 t -90.11 138.5 31.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -134.28 135.87 43.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -143.53 137.75 28.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.1 t -111.0 128.6 67.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 85.0 t -121.6 133.12 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.591 ' HB1' HD12 ' A' ' 48' ' ' ILE . . . -87.29 136.82 32.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.529 ' CE1' ' HB3' ' A' ' 96' ' ' PRO . 53.1 m-85 -123.77 108.63 12.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.655 ' OD1' HD13 ' A' ' 48' ' ' ILE . 34.1 m-20 -103.68 158.37 16.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -42.78 -29.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -76.49 -63.56 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 178.12 171.86 41.93 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.529 ' HB3' ' CE1' ' A' ' 91' ' ' TYR . 53.9 Cg_endo -69.73 113.67 3.45 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.672 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -65.52 -115.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.48 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.535 HG21 ' HD3' ' A' ' 20' ' ' PRO . 18.5 m -98.59 -175.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.168 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.8 t -132.84 123.11 25.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.2 156.2 7.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.592 0.711 . . . . 0.0 111.089 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 134.1 27.17 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.367 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -42.61 131.72 3.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.5 t -115.62 82.56 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.11 122.15 23.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.0 p -131.47 145.09 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.5 ttm-85 -102.1 131.75 48.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.552 HG23 HD11 ' A' ' 34' ' ' ILE . 10.6 p -72.7 179.98 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.79 156.82 27.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.423 ' HB3' ' CD1' ' A' ' 81' ' ' TYR . 60.5 p -101.08 119.33 38.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -66.48 158.08 30.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.1 m -120.56 -54.52 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 175.44 -173.97 46.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.527 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 114' ' ' SER . 53.7 Cg_endo -69.77 -25.55 28.42 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 113' ' ' PRO . 48.7 m -35.37 -61.91 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.3 p -60.93 131.9 52.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.438 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 m -152.65 167.68 28.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.379 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -153.38 173.68 15.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.18 147.27 20.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -150.81 147.05 26.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 p -109.47 157.51 18.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.815 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.66 -120.71 2.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -126.53 137.54 53.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.7 t -88.75 138.73 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.153 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -74.44 119.41 18.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.4 t -111.59 136.16 51.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -121.57 145.02 41.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -178.45 2.35 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.323 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -140.46 127.51 20.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.419 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 10.4 p -131.05 130.18 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.077 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 54.43 50.89 15.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.537 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 4.4 mm? -106.3 161.01 24.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.565 0.697 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.526 ' HD2' HD12 ' A' ' 17' ' ' LEU . 53.1 Cg_endo -69.81 168.79 20.61 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.293 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.86 171.35 34.33 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 141.57 45.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.648 2.232 . . . . 0.0 112.3 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.54 111.74 8.3 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.577 0.703 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 23' ' ' ASN . 53.5 Cg_endo -69.81 -177.17 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 22' ' ' PRO . 2.8 m-20 35.31 52.54 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.403 HD12 ' HB3' ' A' ' 38' ' ' TRP . 58.5 tp -84.51 105.18 15.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -116.61 158.72 23.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.463 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -159.0 127.03 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -140.4 149.84 43.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.944 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 107' ' ' THR . . . -84.83 108.45 17.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.123 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.61 -24.67 56.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 m -154.39 160.03 31.34 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.67 0.748 . . . . 0.0 110.839 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 1.51 4.34 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.739 2.293 . . . . 0.0 112.354 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.9 p -131.36 1.28 4.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 p -145.34 172.67 12.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.627 HD11 HG23 ' A' ' 107' ' ' THR . 90.5 mt -151.88 127.72 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.4 m -98.34 133.0 43.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.17 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.463 HG13 ' HB2' ' A' ' 26' ' ' ALA . 11.4 t -127.39 128.2 69.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.3 p -124.39 131.42 53.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.461 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 48.2 p90 -134.45 168.59 18.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -114.43 164.79 13.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.499 HG23 ' HD2' ' A' ' 41' ' ' PRO . 55.1 m -86.29 134.85 37.59 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.575 0.702 . . . . 0.0 111.127 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.499 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.9 Cg_endo -69.73 111.72 2.88 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.709 2.272 . . . . 0.0 112.345 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 43' ' ' SER . 33.7 m -46.79 -46.09 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.099 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.53 ' N ' HG23 ' A' ' 42' ' ' VAL . 1.2 t -75.98 172.68 12.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.08 157.95 7.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.522 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -98.22 83.76 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.351 . . . . 0.0 110.9 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.49 -148.08 17.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -106.08 169.77 8.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.3 mm -98.77 143.33 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -88.95 -56.73 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -148.58 166.76 27.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -114.14 125.73 54.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.418 ' CG ' ' CE1' ' A' ' 54' ' ' TYR . 1.9 tppp? -99.91 131.49 45.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.637 ' O ' HG22 ' A' ' 66' ' ' VAL . 28.8 tp -126.92 116.84 21.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.442 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 2.8 m-85 -99.16 157.6 16.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.512 ' HE1' HG13 ' A' ' 66' ' ' VAL . 10.7 p90 -155.57 137.49 14.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -155.67 161.48 40.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -86.93 129.86 34.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -53.72 91.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.88 40.06 0.5 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.87 -35.04 2.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 111.146 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.6 t70 71.86 25.28 3.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.34 116.31 4.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -110.56 158.91 18.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -114.05 -177.48 3.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.34 129.77 27.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 53' ' ' LEU . 8.8 m -121.59 125.4 73.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.49 118.09 14.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 69' ' ' SER . 88.4 t -122.99 156.14 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.473 ' N ' HG12 ' A' ' 68' ' ' VAL . 87.6 p -113.53 -37.21 4.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.6 m -88.54 161.33 17.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.461 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 72.0 m80 -68.05 -33.25 74.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 97.2 p -112.0 126.84 55.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -125.2 162.93 23.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.971 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 62.6 m -125.98 120.12 29.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.1 mt -102.36 111.2 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -104.29 156.37 17.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.25 44.97 2.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.52 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.1 mt -120.77 170.22 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.896 0.379 . . . . 0.0 110.92 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.5 mtmm -80.96 168.44 18.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -92.12 147.27 23.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.3 t80 43.46 52.45 5.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.037 0.446 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.1 m -133.52 133.0 41.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.164 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -69.23 151.56 46.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -152.24 128.41 10.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -83.15 152.16 25.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -146.36 136.04 23.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.442 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 28.6 ptt180 -147.17 133.6 19.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.0 t -107.17 143.65 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.0 t -132.6 137.6 53.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.57 125.39 35.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 24.3 m-85 -112.91 120.84 42.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -121.34 167.41 12.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -44.12 -33.41 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -73.15 -57.76 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 169.56 -177.45 43.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.556 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.8 Cg_endo -69.76 128.64 16.32 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.369 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.441 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -86.73 -154.28 25.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.443 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.5 m -55.57 -175.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.7 t -143.43 106.94 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.2 p -40.88 154.66 0.21 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.565 0.697 . . . . 0.0 111.165 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 102' ' ' ASP . 53.1 Cg_endo -69.8 130.51 19.41 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 101' ' ' PRO . 1.2 m-20 -34.63 138.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 103' ' ' VAL . 98.5 t -125.06 77.98 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.4 136.25 54.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.1 p -144.48 137.82 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.163 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -92.28 129.92 38.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.627 HG23 HD11 ' A' ' 34' ' ' ILE . 13.5 p -74.1 -177.2 2.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.3 mt -89.06 164.36 15.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 t -109.39 118.86 37.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -92.92 87.93 5.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.0 p -91.73 42.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.63 178.77 18.9 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -22.75 31.7 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 90.5 p -132.22 166.11 22.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.5 t -156.32 139.48 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -152.87 175.41 12.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.955 0.407 . . . . 0.0 110.824 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -112.52 158.05 20.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.53 93.06 0.47 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.0 p -46.7 102.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.2 m -59.61 -56.47 21.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.78 133.18 1.59 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.8 mtm-85 -80.33 94.53 6.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.2 m -82.06 125.66 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -94.58 89.71 5.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 t -140.47 146.61 38.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -114.72 155.57 46.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 166.43 27.68 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.691 2.26 . . . . 0.0 112.328 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -64.67 169.93 4.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.7 t -88.11 -33.58 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.451 ' NE2' ' CD1' ' A' ' 17' ' ' LEU . 4.5 pp0? -81.9 40.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.451 ' CD1' ' NE2' ' A' ' 16' ' ' GLN . 1.1 mp -117.5 162.85 26.47 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.553 0.692 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 164.22 35.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.09 176.75 28.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.602 ' HD3' HG21 ' A' ' 98' ' ' VAL . 54.2 Cg_endo -69.73 121.82 8.51 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.648 2.232 . . . . 0.0 112.399 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -49.99 111.4 2.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.552 0.692 . . . . 0.0 111.099 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 178.34 4.71 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.414 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 25.9 m120 47.05 40.26 9.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.487 HD22 ' HB ' ' A' ' 100' ' ' THR . 52.9 tp -75.44 104.56 6.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.1 mmm-85 -116.34 159.24 22.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.401 ' HB3' HG11 ' A' ' 103' ' ' VAL . . . -155.34 126.76 7.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.559 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 41.5 p90 -143.54 138.57 29.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.53 105.55 10.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.46 -38.85 85.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -140.99 163.5 42.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.668 0.747 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.93 3.99 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.716 2.278 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.0 p -127.72 -18.94 4.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 p -128.34 168.19 15.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.462 HD11 HG23 ' A' ' 107' ' ' THR . 89.4 mt -143.17 137.35 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.559 ' HB ' ' CE1' ' A' ' 27' ' ' TYR . 87.9 m -103.38 137.19 41.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.3 t -133.81 127.19 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.8 p -124.68 131.54 53.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.545 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 45.5 p90 -134.52 167.73 20.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.44 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 50.8 mm-40 -118.93 165.25 14.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.433 HG23 ' HD2' ' A' ' 41' ' ' PRO . 96.5 m -85.73 133.03 42.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 0.0 111.17 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.3 Cg_endo -69.76 112.96 3.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.29 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.1 m -56.42 -26.4 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 t -87.56 95.57 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.824 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -152.9 176.68 30.94 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -113.5 -56.85 2.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -106.1 177.75 22.54 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.522 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -84.84 121.51 27.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.4 mm -47.87 147.97 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -109.72 -53.75 2.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -143.86 151.06 39.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -110.96 116.79 31.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -90.97 118.54 30.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.9 tp -114.48 112.03 22.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -86.59 148.44 25.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.483 ' CG ' HD13 ' A' ' 75' ' ' ILE . 12.0 p90 -149.97 125.85 10.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.945 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -154.36 162.36 41.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 30.7 tt0 -86.13 133.57 33.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.97 99.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.54 42.76 0.94 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.429 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -128.72 -39.39 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.323 . . . . 0.0 111.163 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.3 t70 68.57 27.87 6.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -133.13 62.31 1.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -57.17 142.33 43.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -114.09 -177.64 3.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 1.3 p-10 -149.13 135.46 19.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 66' ' ' VAL . 27.2 m -133.75 121.91 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -68.94 109.06 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 82.6 t -109.31 146.2 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.7 m -102.99 -35.86 8.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.6 p -89.31 155.95 19.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.545 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 31.4 m80 -64.02 -26.4 68.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.5 m -119.67 133.99 55.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.444 ' CG ' ' N ' ' A' ' 74' ' ' THR . 71.7 t80 -126.3 170.18 12.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' A' ' 73' ' ' TYR . 37.6 m -135.03 110.34 9.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.11 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.483 HD13 ' CG ' ' A' ' 55' ' ' TYR . 95.5 mt -93.32 126.85 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -119.57 169.48 10.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.94 56.55 3.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.3 mt -127.2 169.89 12.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -77.1 154.85 32.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -83.33 148.31 27.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.8 t80 47.15 42.72 13.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 83' ' ' GLU . 36.3 m -123.85 154.61 39.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.14 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.423 ' N ' HG22 ' A' ' 82' ' ' THR . 14.4 tt0 -94.25 149.92 20.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 67.1 m-85 -145.69 132.06 19.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.76 152.11 24.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.477 ' HE1' HD12 ' A' ' 75' ' ' ILE . 85.6 m-85 -147.2 134.28 20.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.868 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -150.95 126.23 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 84.4 t -96.01 148.22 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 70.6 t -136.43 140.46 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.98 129.53 34.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.542 ' CE1' ' HB3' ' A' ' 96' ' ' PRO . 33.7 m-85 -127.46 106.88 9.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -128.6 172.31 11.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 94' ' ' HIS . 16.9 ptpt -41.7 -43.18 2.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.472 ' N ' ' HG3' ' A' ' 93' ' ' LYS . 56.7 m-70 -58.98 -67.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 163.46 171.7 30.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.542 ' HB3' ' CE1' ' A' ' 91' ' ' TYR . 53.6 Cg_endo -69.76 110.41 2.55 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.343 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.451 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -73.76 -123.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.602 HG21 ' HD3' ' A' ' 20' ' ' PRO . 13.3 m -89.05 168.75 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 111.135 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.2 t -122.76 116.65 24.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.487 ' HB ' HD22 ' A' ' 24' ' ' LEU . 16.4 p -43.12 155.43 0.28 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.54 0.686 . . . . 0.0 111.16 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 130.6 19.59 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -41.89 134.91 2.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.716 ' O ' HG12 ' A' ' 103' ' ' VAL . 43.8 t -119.52 74.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.32 127.67 32.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.9 p -138.28 141.73 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 35.7 ttp180 -95.7 130.05 42.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.462 HG23 HD11 ' A' ' 34' ' ' ILE . 20.7 p -69.11 178.06 2.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 37.9 mt -79.76 153.06 29.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.1 t -106.35 127.99 53.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -66.76 -58.15 5.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 75.0 m -43.5 153.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.56 80.03 0.51 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -50.02 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.691 2.26 . . . . 0.0 112.35 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.5 m -46.44 -57.52 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 61.6 p -127.14 113.1 15.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -121.51 159.99 25.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.857 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -40.41 152.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.15 97.12 0.37 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -155.88 177.63 11.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 0.0 110.83 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 m -157.61 178.01 10.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.53 144.62 7.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -135.39 158.36 44.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.362 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.6 m -104.48 159.38 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -130.61 136.23 48.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.0 p -74.97 140.48 43.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -172.82 148.44 1.72 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.529 0.68 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -175.19 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.239 . . . . 0.0 112.363 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -112.48 50.0 0.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.932 HG23 HD13 ' A' ' 17' ' ' LEU . 34.5 m -84.26 -173.71 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.143 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.409 ' O ' HD12 ' A' ' 17' ' ' LEU . 41.8 mm-40 -81.27 100.47 9.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.932 HD13 HG23 ' A' ' 15' ' ' VAL . 1.0 OUTLIER -121.71 157.59 56.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.645 0.736 . . . . 0.0 110.866 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HB3' ' ND2' ' A' ' 92' ' ' ASN . 54.1 Cg_endo -69.78 158.87 55.46 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.661 2.241 . . . . 0.0 112.352 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.53 179.51 31.88 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.574 ' HD3' HG21 ' A' ' 98' ' ' VAL . 54.4 Cg_endo -69.73 136.05 32.08 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -65.16 111.99 7.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.583 0.706 . . . . 0.0 111.07 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -179.46 2.94 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.43 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 25.9 m120 45.43 43.32 8.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 38' ' ' TRP . 53.9 tp -80.38 100.52 8.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -109.2 150.66 27.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -147.39 129.57 15.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.076 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -150.69 138.88 20.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.33 102.89 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.068 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.79 -27.64 66.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 p -149.31 158.28 38.48 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.685 0.755 . . . . 0.0 110.829 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 1.03 4.8 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.36 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.4 p -130.04 -7.0 4.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.198 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.14 176.96 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.539 HG21 ' CE2' ' A' ' 86' ' ' PHE . 58.3 mt -155.37 122.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.2 m -98.91 132.43 44.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.3 t -125.42 131.61 72.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.2 p -124.65 146.19 49.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.558 ' CE3' HG21 ' A' ' 88' ' ' VAL . 31.4 p90 -150.67 174.2 13.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.559 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 10.0 mm-40 -123.84 165.52 17.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.534 HG23 ' HD2' ' A' ' 41' ' ' PRO . 55.5 m -85.47 135.77 38.21 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.58 0.705 . . . . 0.0 111.15 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.534 ' HD2' HG23 ' A' ' 40' ' ' THR . 54.4 Cg_endo -69.77 120.41 7.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.381 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 m -66.87 -23.04 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 m -92.15 133.5 35.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.13 -166.92 25.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -138.09 154.39 49.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.898 0.38 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.69 160.76 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.531 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -84.0 133.71 34.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.551 HG21 ' CE1' ' A' ' 51' ' ' TYR . 46.7 mm -48.98 130.53 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -77.35 -44.75 28.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -159.82 164.49 33.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.551 ' CE1' HG21 ' A' ' 48' ' ' ILE . 63.7 m-85 -118.65 123.48 45.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -103.8 122.31 44.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.574 ' O ' HG22 ' A' ' 66' ' ' VAL . 19.3 tp -110.59 130.12 55.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 15.1 m-85 -102.39 158.3 16.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -162.05 128.88 3.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -159.06 161.6 36.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.588 ' HG3' ' CE2' ' A' ' 84' ' ' TYR . 30.9 mt-10 -81.63 144.46 31.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -67.69 107.46 2.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.89 44.49 2.07 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -127.74 -28.35 2.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 0.0 111.104 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 63.34 25.3 14.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -134.95 83.33 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -77.65 150.88 34.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.595 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 41.2 mt-30 -126.32 176.78 6.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -142.58 144.58 32.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 53' ' ' LEU . 34.7 m -133.64 145.5 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.35 120.77 22.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.0 t -140.13 139.14 37.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.24 47.58 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.9 p -154.46 168.24 27.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -91.62 22.64 3.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.6 p -169.26 126.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -138.96 150.13 45.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.1 m -121.89 126.98 49.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.5 mt -106.05 114.09 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -104.35 157.94 16.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.12 50.28 2.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.42 HD12 HG13 ' A' ' 34' ' ' ILE . 39.1 mt -122.76 166.4 15.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -76.65 168.74 19.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -95.19 151.58 19.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.6 t80 45.37 45.53 10.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.5 m -132.69 139.61 47.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -78.8 155.27 29.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.588 ' CE2' ' HG3' ' A' ' 57' ' ' GLU . 41.6 m-85 -150.43 130.22 13.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.2 t -83.58 153.22 24.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.539 ' CE2' HG21 ' A' ' 34' ' ' ILE . 85.9 m-85 -151.27 131.32 13.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.443 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 13.1 ptt180 -149.16 135.11 18.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.558 HG21 ' CE3' ' A' ' 38' ' ' TRP . 95.0 t -106.22 147.0 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.6 t -123.95 135.36 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.08 145.26 26.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.056 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.454 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 24.0 m-85 -129.85 142.56 50.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 18' ' ' PRO . 20.2 m-20 -148.02 155.6 41.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -38.57 -37.21 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -69.16 -62.85 1.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.837 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 174.33 169.3 36.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.454 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.5 Cg_endo -69.72 112.49 3.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 0.0 112.355 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -73.3 -157.25 4.18 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.574 HG21 ' HD3' ' A' ' 20' ' ' PRO . 21.8 m -57.99 -175.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.133 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.7 t -138.67 146.2 41.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 49.2 p -64.75 152.7 89.63 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.525 0.678 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 102' ' ' ASP . 53.8 Cg_endo -69.75 131.52 21.41 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.382 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 101' ' ' PRO . 13.0 m-20 -34.94 134.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.557 ' O ' HG12 ' A' ' 103' ' ' VAL . 57.2 t -120.31 80.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.19 137.68 43.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.8 p -145.7 144.94 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -93.94 135.19 35.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.512 HG23 HD11 ' A' ' 34' ' ' ILE . 3.3 p -78.36 163.3 25.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.0 mt -66.69 136.74 55.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.3 p -71.06 150.8 45.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -107.13 -55.0 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 112' ' ' GLY . 34.0 t -80.99 -59.21 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 111' ' ' SER . . . -34.34 97.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 111' ' ' SER . 54.3 Cg_endo -69.72 -179.75 3.11 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.5 t -75.76 83.92 2.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 58.6 m -78.08 -59.88 2.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.54 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.1 p -96.8 155.7 16.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 0.0 110.885 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 p -170.61 176.61 4.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.2 -169.56 32.65 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -141.67 171.28 14.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 m -101.64 136.88 40.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.62 132.28 1.54 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -134.93 151.14 50.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.381 . . . . 0.0 110.836 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.9 t -110.92 136.26 47.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.48 148.76 50.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.2 p -92.63 171.23 9.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -117.01 143.45 31.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.57 0.7 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -168.14 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 0.0 112.336 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.64 125.39 23.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.52 HG11 HD22 ' A' ' 17' ' ' LEU . 96.3 t -151.05 144.76 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.442 ' O ' HD12 ' A' ' 17' ' ' LEU . 83.3 mt-30 -79.6 48.95 0.97 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.797 HD23 ' HA2' ' A' ' 97' ' ' GLY . 2.4 mp -121.31 162.55 35.25 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.639 0.733 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 157.8 59.22 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.87 177.5 31.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 136.46 33.06 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.676 2.251 . . . . 0.0 112.34 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -61.16 118.61 37.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.559 0.695 . . . . 0.0 111.111 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 23' ' ' ASN . 53.5 Cg_endo -69.78 -175.32 1.12 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.691 2.26 . . . . 0.0 112.372 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 22' ' ' PRO . 2.7 m-20 34.27 46.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.0 tp -79.47 101.93 8.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -112.59 155.44 24.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.72 128.84 11.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -147.41 148.44 31.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.94 112.86 23.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.086 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.32 -40.27 58.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -135.92 161.56 61.96 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.624 0.726 . . . . 0.0 110.877 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 1.84 4.08 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.644 2.229 . . . . 0.0 112.319 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.0 p -132.86 0.83 3.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.422 ' C ' HG13 ' A' ' 34' ' ' ILE . 3.4 p -142.79 173.31 11.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.753 HD11 HG23 ' A' ' 107' ' ' THR . 97.2 mt -151.92 127.45 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.8 m -99.99 129.85 46.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.3 t -121.43 133.25 68.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 62.2 p -128.21 130.52 48.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 49.0 p90 -133.58 173.44 11.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.435 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 35.1 mm-40 -121.95 165.0 16.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.0 m -85.98 131.95 45.27 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.571 0.7 . . . . 0.0 111.166 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 109.16 2.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.304 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.8 m -46.74 -30.04 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.4 m -80.96 161.16 24.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 143.91 -176.88 22.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -120.35 -48.82 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -123.46 166.14 16.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -62.17 134.24 56.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.8 mm -62.57 124.09 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -71.63 -57.81 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -151.53 150.47 30.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -93.13 118.71 31.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.559 ' HG3' ' CE1' ' A' ' 54' ' ' TYR . 10.0 tptm -92.83 102.54 14.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.6 tp -99.25 133.12 44.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 52' ' ' LYS . 2.0 m-85 -113.01 161.82 16.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -162.13 142.5 10.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.934 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -158.74 162.02 37.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.552 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 63.9 tt0 -95.95 105.6 17.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 57' ' ' GLU . 1.3 tppt? -29.56 101.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.14 -38.16 1.94 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -30.75 40.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.728 0.299 . . . . 0.0 111.133 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 67.81 24.95 8.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -156.02 120.7 4.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.9 pm0 -101.21 153.58 19.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -109.78 -174.3 2.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -141.36 133.1 27.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 66' ' ' VAL . 13.2 m -130.54 129.34 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -69.16 129.95 41.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.3 t -143.3 137.59 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.6 m -123.19 46.88 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.7 m -159.09 162.82 36.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -89.77 31.12 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.2 p -171.84 126.61 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -139.86 159.98 40.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.936 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 56.2 m -131.08 119.78 22.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 85.7 mt -102.38 105.6 18.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -98.02 163.58 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.8 50.5 3.5 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.504 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 49.5 mt -122.49 168.77 11.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.882 0.372 . . . . 0.0 110.958 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -75.77 158.47 32.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -86.35 139.72 30.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 21.0 t80 53.39 51.4 15.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.1 m -135.21 141.55 45.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.107 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.513 ' HG2' ' HB1' ' A' ' 104' ' ' ALA . 4.0 tt0 -81.2 151.51 28.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.552 ' CE2' ' HB2' ' A' ' 57' ' ' GLU . 39.1 m-85 -145.9 129.33 16.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.943 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 t -83.6 142.44 30.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -137.77 138.12 38.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -150.18 133.45 16.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 96.9 t -102.74 137.5 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 54.8 t -124.48 131.87 72.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -88.92 119.76 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.076 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.579 ' CE1' ' HB3' ' A' ' 96' ' ' PRO . 31.6 m-85 -112.41 114.23 26.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -124.78 170.15 11.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 94' ' ' HIS . 19.6 ptmt -43.2 -48.25 6.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.409 ' N ' ' HG3' ' A' ' 93' ' ' LYS . 94.8 m-70 -56.16 -57.81 10.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 156.71 173.1 24.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.448 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.579 ' HB3' ' CE1' ' A' ' 91' ' ' TYR . 53.5 Cg_endo -69.82 107.82 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 0.0 112.296 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.797 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -64.43 -113.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.5 m -104.46 179.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 111.086 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.3 t -126.92 129.3 47.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.9 p -55.63 157.8 6.98 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.544 0.688 . . . . 0.0 111.164 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 102' ' ' ASP . 54.1 Cg_endo -69.77 130.98 20.27 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.637 2.225 . . . . 0.0 112.378 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 101' ' ' PRO . 3.3 m-20 -37.26 129.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.683 ' O ' HG12 ' A' ' 103' ' ' VAL . 55.7 t -118.42 73.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.513 ' HB1' ' HG2' ' A' ' 83' ' ' GLU . . . -64.42 140.09 58.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.6 p -144.48 139.11 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 47.2 ttm-85 -91.34 133.69 35.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.753 HG23 HD11 ' A' ' 34' ' ' ILE . 1.6 p -79.56 164.78 23.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 64.7 mt -69.48 141.06 54.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.2 t -94.43 126.63 39.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -69.74 86.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.8 t -109.34 70.07 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 164.21 84.76 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.453 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 2.65 3.33 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.707 2.271 . . . . 0.0 112.332 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t 71.48 44.6 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.5 t -145.76 158.35 43.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.442 179.946 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.0 m -138.61 175.58 9.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.881 0.372 . . . . 0.0 110.862 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -82.4 117.7 22.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.828 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.63 40.27 0.2 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.3 t -111.82 47.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.887 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 p 49.05 42.24 20.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.37 -52.16 6.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -62.46 85.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.6 m -101.86 172.84 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -159.83 146.21 16.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.1 m -77.16 94.93 4.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -85.82 147.92 47.15 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.628 0.728 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 168.53 21.3 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.712 2.274 . . . . 0.0 112.353 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -118.38 137.14 53.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.8 t -116.45 -64.1 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.89 37.19 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.531 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 4.6 mm? -100.16 159.88 28.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.617 0.723 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.592 ' HG2' ' HB3' ' A' ' 90' ' ' ALA . 53.8 Cg_endo -69.76 174.98 8.72 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.714 2.276 . . . . 0.0 112.327 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.01 170.56 20.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.947 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.6 Cg_endo -69.75 113.03 3.24 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.683 2.256 . . . . 0.0 112.322 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -42.87 111.91 1.08 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.527 0.679 . . . . 0.0 111.059 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' ASN . 54.1 Cg_endo -69.78 -174.2 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.704 2.269 . . . . 0.0 112.299 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.472 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 2.7 m-20 34.4 51.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.441 HD22 ' HB ' ' A' ' 100' ' ' THR . 19.6 tp -84.76 104.19 14.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.2 mmm-85 -114.18 168.03 10.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -165.51 127.51 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.066 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -141.66 143.91 33.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.84 106.49 15.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.117 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.25 -36.91 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -143.17 162.14 44.49 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.65 0.738 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 1.67 4.22 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.737 2.291 . . . . 0.0 112.341 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.8 p -125.63 -20.72 4.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 p -126.95 171.44 11.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.809 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.499 HD11 HG23 ' A' ' 107' ' ' THR . 93.9 mt -147.97 126.36 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.9 m -94.26 126.57 39.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.1 t -124.09 135.53 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.432 HG22 ' CB ' ' A' ' 72' ' ' SER . 37.5 p -131.08 140.03 49.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.09 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 49.3 p90 -142.31 165.28 27.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.478 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 25.2 mm-40 -109.35 163.65 13.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.8 m -86.75 132.07 43.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 111.107 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 115.46 4.11 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.653 2.235 . . . . 0.0 112.356 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.503 HG23 ' N ' ' A' ' 43' ' ' SER . 19.4 m -61.05 -44.02 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.503 ' N ' HG23 ' A' ' 42' ' ' VAL . 59.7 p -78.47 144.67 35.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.46 165.06 13.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.528 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -47.7 -49.7 27.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.83 -149.39 19.72 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.421 ' HB2' ' NZ ' ' A' ' 93' ' ' LYS . 31.0 mt-10 43.16 43.69 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.8 mm -53.05 129.43 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.44 ' NE2' ' HB3' ' A' ' 93' ' ' LYS . 55.6 mt-30 -80.18 -45.81 17.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -156.76 140.95 16.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -93.61 130.0 39.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' CE ' ' HA ' ' A' ' 52' ' ' LYS . 1.1 tpmt? -100.62 122.46 43.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.3 tp -116.37 127.3 54.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.472 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 1.1 m-85 -108.33 161.25 15.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.498 ' HE1' HG13 ' A' ' 66' ' ' VAL . 33.1 p90 -162.1 139.29 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.481 ' HB3' ' CB ' ' A' ' 63' ' ' GLU . 2.2 ptt? -159.03 161.87 36.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.443 ' HG3' ' CG2' ' A' ' 82' ' ' THR . 20.7 tt0 -85.35 132.14 34.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -55.6 97.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.67 42.3 0.74 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -133.16 -34.28 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.329 . . . . 0.0 111.124 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.6 t0 68.12 25.02 7.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -149.66 107.34 3.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.481 ' CB ' ' HB3' ' A' ' 56' ' ' MET . 2.9 pt-20 -106.61 158.63 16.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.448 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 61.5 mt-30 -106.42 172.92 6.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -128.8 127.92 42.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.498 HG13 ' HE1' ' A' ' 55' ' ' TYR . 27.2 m -126.52 129.54 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.69 117.64 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.4 t -118.81 132.3 69.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.0 m -116.24 51.36 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.0 m -166.45 -178.6 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -85.61 -33.73 21.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.432 ' CB ' HG22 ' A' ' 37' ' ' THR . 94.7 p -123.2 142.53 50.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.821 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -135.93 159.68 40.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 65.9 m -125.13 113.7 18.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 93.7 mt -96.91 107.38 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -101.5 173.02 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.1 47.73 6.88 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.465 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.9 mt -125.08 159.48 31.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.923 0.392 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -69.13 171.03 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.22 147.02 27.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.4 t80 56.05 41.64 29.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.443 ' CG2' ' HG3' ' A' ' 57' ' ' GLU . 36.7 m -131.33 136.84 48.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -79.7 153.56 29.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.422 ' CE2' HG22 ' A' ' 82' ' ' THR . 81.8 m-85 -152.08 133.29 14.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.964 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t -83.9 152.57 24.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -145.42 139.21 26.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.401 ' CD ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -150.99 141.3 22.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 85.7 t -110.8 135.2 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.401 HG23 ' CD ' ' A' ' 87' ' ' ARG . 77.2 t -127.23 135.24 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.592 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -87.23 128.65 35.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 33.7 m-85 -120.86 114.41 21.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.429 ' O ' ' N ' ' A' ' 94' ' ' HIS . 34.5 p-10 -116.57 162.15 18.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.44 ' HB3' ' NE2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -39.41 -28.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 92' ' ' ASN . 50.3 m-70 -73.39 -64.35 1.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.817 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 171.8 -174.27 45.18 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.551 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.0 Cg_endo -69.72 127.57 14.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.258 . . . . 0.0 112.341 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.484 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -95.05 -157.33 32.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.486 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.947 HG21 ' HD3' ' A' ' 20' ' ' PRO . 20.5 m -50.71 175.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 111.153 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -132.81 118.07 18.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.441 ' HB ' HD22 ' A' ' 24' ' ' LEU . 1.1 p -56.9 158.46 8.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.629 0.728 . . . . 0.0 111.096 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 132.25 22.84 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.351 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -46.21 145.57 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.1 t -129.5 80.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.14 135.44 49.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.2 p -144.96 145.27 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -99.51 132.37 44.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.499 HG23 HD11 ' A' ' 34' ' ' ILE . 15.3 p -75.99 162.03 28.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 59.2 mt -64.74 152.13 43.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 60.5 p -95.8 114.37 26.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -111.11 -43.8 3.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.6 t -74.08 -50.06 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -39.39 160.07 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 127.25 14.34 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.682 2.254 . . . . 0.0 112.339 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 80.8 p -70.39 -35.83 73.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.4 m 60.01 44.5 13.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.433 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.1 p -135.8 174.95 10.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.8 p -171.15 162.27 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.42 178.09 36.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 m -136.74 175.35 9.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.839 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.3 p -109.46 -56.75 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.47 104.13 0.78 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -174.39 157.31 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.452 ' C ' ' CD ' ' A' ' 10' ' ' GLU . 3.7 m -115.62 23.86 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.452 ' CD ' ' C ' ' A' ' 9' ' ' VAL . 3.3 pm0 40.07 53.11 2.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.0 p -107.04 149.74 27.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -166.93 135.1 2.14 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.566 0.698 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 168.93 20.1 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.699 2.266 . . . . 0.0 112.369 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -46.66 150.75 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.768 HG21 HD22 ' A' ' 17' ' ' LEU . 7.6 p -159.71 145.25 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.406 ' O ' HD12 ' A' ' 17' ' ' LEU . 12.7 pt20 -93.57 64.66 3.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.768 HD22 HG21 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -122.36 161.92 40.69 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.627 0.727 . . . . 0.0 110.881 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.46 18.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.292 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.11 173.89 20.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.563 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.2 Cg_endo -69.83 123.65 10.29 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.665 2.243 . . . . 0.0 112.34 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -51.01 110.88 1.95 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.555 0.693 . . . . 0.0 111.116 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 179.95 3.33 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.1 m120 43.14 48.07 5.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 38' ' ' TRP . 21.9 tp -78.78 107.05 11.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.94 139.29 48.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -137.08 131.18 32.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -128.38 129.77 46.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.74 104.18 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.27 -43.54 98.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.04 164.17 41.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.64 0.733 . . . . 0.0 110.866 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 3.22 2.85 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.9 p -126.56 -19.4 4.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.431 ' C ' HG13 ' A' ' 34' ' ' ILE . 87.5 p -126.83 174.36 8.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.724 HD11 HG23 ' A' ' 107' ' ' THR . 87.9 mt -152.71 127.63 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.099 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.7 m -100.59 109.42 21.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.462 HG13 ' HB2' ' A' ' 26' ' ' ALA . 49.7 t -98.53 143.34 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.179 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 p -132.48 161.69 33.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.466 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 48.4 p90 -164.34 157.33 17.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.431 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 3.1 mm-40 -106.93 165.32 11.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.0 m -85.65 129.8 53.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.633 0.73 . . . . 0.0 111.111 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 110.98 2.68 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.394 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.7 m -46.8 -24.36 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.3 m -97.89 72.31 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -123.04 113.11 2.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.554 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 27.3 m-80 -59.68 117.72 5.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.16 -119.12 5.53 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -142.16 150.1 40.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.689 HG21 ' CZ ' ' A' ' 51' ' ' TYR . 49.2 mm -83.25 127.73 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.144 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -87.83 -57.46 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -147.12 159.58 43.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.689 ' CZ ' HG21 ' A' ' 48' ' ' ILE . 55.7 m-85 -113.73 141.65 47.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -110.91 112.17 23.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.704 ' O ' HG22 ' A' ' 66' ' ' VAL . 22.2 tp -100.09 130.29 46.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 1.3 m-85 -108.17 162.35 14.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -162.14 128.61 3.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -153.04 161.5 42.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -88.13 135.36 33.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 95.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.29 40.7 0.67 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.466 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.05 -25.86 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.185 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 64.1 26.15 13.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -146.21 112.22 5.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -96.72 146.9 24.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.452 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 12.3 mm-40 -112.48 179.54 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -145.09 139.9 27.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 53' ' ' LEU . 27.2 m -134.19 137.48 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.9 115.82 17.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.501 HG22 ' CD1' ' A' ' 73' ' ' TYR . 85.9 t -119.32 125.72 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.5 m -102.78 51.16 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -172.93 173.72 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.44 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 17.6 m170 -72.67 -28.55 62.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 t -129.21 151.59 49.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.501 ' CD1' HG22 ' A' ' 68' ' ' VAL . 74.8 t80 -138.35 170.86 15.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.446 ' N ' ' CG ' ' A' ' 73' ' ' TYR . 96.6 m -134.37 117.04 15.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.163 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 62.0 mt -101.72 115.45 43.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -106.02 157.51 17.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.66 53.98 2.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.533 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.8 mt -123.61 173.2 8.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.878 0.37 . . . . 0.0 110.917 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -79.85 150.2 30.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -78.18 143.79 36.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 18.2 t80 47.88 43.82 17.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.4 m -127.95 139.37 52.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -79.05 149.16 32.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -145.38 130.89 18.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -83.16 140.3 32.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -136.7 140.98 43.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -148.02 160.63 42.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 77.3 t -128.93 140.08 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.077 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 90.4 t -128.91 135.4 62.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.36 136.51 32.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 96' ' ' PRO . 29.8 m-85 -128.81 111.75 13.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 93' ' ' LYS . 51.5 p30 -132.42 165.06 25.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.606 ' HE3' ' CE1' ' A' ' 94' ' ' HIS . 36.0 pttt -35.08 -48.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.606 ' CE1' ' HE3' ' A' ' 93' ' ' LYS . 13.1 m80 -52.62 -67.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 165.04 176.0 36.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.561 ' HB3' ' CE1' ' A' ' 91' ' ' TYR . 53.3 Cg_endo -69.82 113.21 3.31 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.695 2.263 . . . . 0.0 112.312 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -83.39 -167.62 41.98 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.445 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.563 HG21 ' HD3' ' A' ' 20' ' ' PRO . 33.8 m -50.95 178.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.877 0.37 . . . . 0.0 111.128 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.6 t -132.67 135.82 46.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.7 p -57.52 158.04 12.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.708 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 102' ' ' ASP . 54.3 Cg_endo -69.75 131.93 22.29 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 2.265 . . . . 0.0 112.348 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 101' ' ' PRO . 4.9 m-20 -36.26 136.75 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.488 ' O ' HG12 ' A' ' 103' ' ' VAL . 87.3 t -123.0 78.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.96 133.61 46.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.5 p -138.03 144.17 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -97.67 128.41 44.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.724 HG23 HD11 ' A' ' 34' ' ' ILE . 2.7 p -73.17 155.12 39.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 27.4 mt -55.25 148.68 14.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 88.0 p -97.74 115.34 27.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.841 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -48.03 136.58 11.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.1 t -46.88 137.07 7.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.79 -166.51 29.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 93.64 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.1 t -102.71 114.09 28.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 84.8 p -124.02 -44.27 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 t -149.53 171.46 16.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 0.0 110.876 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -138.72 174.47 10.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.43 143.83 15.61 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.529 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 p -86.84 -48.44 8.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.849 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.6 m 59.77 44.83 13.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.4 174.92 0.76 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.45 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -162.94 164.72 25.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -56.05 173.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -137.71 110.36 7.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.5 m -131.05 121.69 25.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -71.12 138.85 84.72 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.583 0.706 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -170.26 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -65.87 173.5 2.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.4 m -101.46 -29.81 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -80.75 65.03 5.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.554 HD12 ' HD2' ' A' ' 18' ' ' PRO . 4.4 mm? -118.62 161.2 36.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.542 0.687 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.554 ' HD2' HD12 ' A' ' 17' ' ' LEU . 53.7 Cg_endo -69.7 170.63 16.06 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.64 170.66 31.15 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.578 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.5 Cg_endo -69.77 124.34 10.99 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.87 110.1 1.61 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.61 0.719 . . . . 0.0 111.144 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -178.14 2.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.641 2.227 . . . . 0.0 112.338 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.426 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 27.3 m120 40.49 47.24 2.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.5 tp -84.16 104.89 14.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.1 mmm-85 -113.72 170.16 8.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -164.75 126.96 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.105 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.4 ' CE2' ' HB ' ' A' ' 35' ' ' THR . 18.2 p90 -144.36 145.19 31.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.67 105.6 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.088 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.5 -43.43 73.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -131.55 161.69 60.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.678 0.751 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 0.26 5.89 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.709 2.273 . . . . 0.0 112.359 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.8 p -132.28 3.64 3.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.15 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.407 ' C ' HG13 ' A' ' 34' ' ' ILE . 3.5 p -143.63 176.12 9.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.61 HD11 ' CG2' ' A' ' 107' ' ' THR . 80.2 mt -153.79 134.4 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.4 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 42.4 m -105.58 126.27 51.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.3 t -122.17 126.11 73.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.453 HG22 ' HB3' ' A' ' 72' ' ' SER . 68.0 p -120.69 134.9 55.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.539 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 49.0 p90 -137.71 168.36 19.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 3.6 mm-40 -115.15 164.71 13.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.606 HG23 ' HD2' ' A' ' 41' ' ' PRO . 98.0 m -87.46 137.17 32.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.578 0.704 . . . . 0.0 111.124 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.77 112.63 3.13 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.256 . . . . 0.0 112.319 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.5 m -51.07 -27.22 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.5 m -95.9 167.26 11.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.03 138.17 4.02 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -92.5 100.73 13.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.33 157.75 22.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -72.69 136.17 45.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.6 mm -64.21 139.03 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -86.4 -60.54 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -150.62 161.59 42.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -104.91 123.06 47.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.476 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 0.6 OUTLIER -96.84 111.5 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.486 ' O ' HG22 ' A' ' 66' ' ' VAL . 28.5 tp -102.57 121.92 43.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.476 ' CE1' ' HG2' ' A' ' 52' ' ' LYS . 6.9 m-85 -101.34 155.87 17.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.434 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 22.3 p90 -159.72 135.9 8.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.922 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -156.97 161.12 39.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -89.74 134.14 34.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -56.49 94.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.86 40.04 0.67 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.535 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 m -126.24 -26.07 3.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.767 0.318 . . . . 0.0 111.132 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.28 25.58 15.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -147.83 105.3 3.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -95.24 151.72 18.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -113.43 176.66 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -141.89 132.59 25.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 53' ' ' LEU . 29.6 m -129.35 137.77 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.9 116.31 21.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 70' ' ' SER . 59.0 t -119.22 125.89 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.3 p -81.85 -37.92 26.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.416 ' O ' HG12 ' A' ' 68' ' ' VAL . 15.9 p -83.98 168.59 15.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.539 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 35.3 m80 -76.33 -25.52 54.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.453 ' HB3' HG22 ' A' ' 37' ' ' THR . 70.9 p -122.63 135.49 54.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -127.71 155.63 43.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.956 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.413 HG22 HD21 ' A' ' 76' ' ' ASN . 31.8 m -118.7 106.35 12.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.162 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.1 mt -89.2 120.98 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.413 HD21 HG22 ' A' ' 74' ' ' THR . 6.3 m-80 -114.27 169.87 8.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.73 46.88 6.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.435 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.43 HD12 HG13 ' A' ' 34' ' ' ILE . 47.1 mt -118.71 163.59 16.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.908 0.385 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -74.5 165.19 25.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.413 ' CD ' ' HB3' ' A' ' 110' ' ' ASP . 6.3 mtmm -94.97 135.85 36.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.1 t80 62.55 45.71 6.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.0 m -132.83 142.33 48.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.171 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.513 ' OE2' ' HB1' ' A' ' 104' ' ' ALA . 20.7 tt0 -84.24 154.22 23.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -151.57 129.06 11.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.55 141.01 31.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.881 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.434 ' CE1' ' HB2' ' A' ' 55' ' ' TYR . 86.9 m-85 -135.02 137.86 43.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.438 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 9.2 ptt180 -147.96 139.5 23.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.1 t -107.26 144.48 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.5 t -134.07 132.63 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.99 127.64 35.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 31.1 m-85 -118.81 110.96 17.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.9 p30 -113.21 178.36 4.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.567 ' HD2' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -48.43 -37.94 18.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.567 ' CD2' ' HD2' ' A' ' 93' ' ' LYS . 36.4 m80 -64.86 -70.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.526 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 175.54 -169.53 42.32 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.514 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.556 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.3 Cg_endo -69.82 121.83 8.5 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.432 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -86.09 -155.51 26.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.578 HG21 ' HD3' ' A' ' 20' ' ' PRO . 17.3 m -58.7 173.22 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.8 t -124.76 118.23 25.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.1 p -51.8 159.0 1.44 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.558 0.694 . . . . 0.0 111.131 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 130.73 19.85 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.665 2.243 . . . . 0.0 112.335 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -42.27 137.19 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.463 ' O ' HG12 ' A' ' 103' ' ' VAL . 79.7 t -123.32 80.32 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.513 ' HB1' ' OE2' ' A' ' 83' ' ' GLU . . . -72.92 130.99 41.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.8 p -137.97 145.92 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.9 ttm-85 -98.6 126.65 44.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.61 ' CG2' HD11 ' A' ' 34' ' ' ILE . 44.3 p -74.54 163.84 27.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.5 mt -69.12 145.67 53.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.9 t -100.17 129.88 46.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.413 ' HB3' ' CD ' ' A' ' 80' ' ' LYS . 0.9 OUTLIER -69.54 -47.53 63.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.401 ' N ' ' CG ' ' A' ' 110' ' ' ASP . 23.2 t -97.81 91.58 5.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -154.95 87.63 0.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.452 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 114' ' ' SER . 54.0 Cg_endo -69.75 3.02 3.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.701 2.267 . . . . 0.0 112.358 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 113' ' ' PRO . 6.1 t -33.83 111.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.6 t -123.0 120.03 32.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -56.15 108.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.874 0.368 . . . . 0.0 110.864 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -166.73 170.31 12.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -147.4 40.52 0.99 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.478 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 4' ' ' GLY . 5.6 m -34.5 108.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.867 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -140.85 168.33 20.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.12 45.39 5.04 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -95.3 103.19 15.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.5 t -138.15 105.51 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -123.75 95.34 4.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.5 m -101.6 124.38 47.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.4 mp0 -67.97 159.7 78.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.577 0.703 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 176.25 6.99 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -122.93 102.42 8.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.728 HG13 HD13 ' A' ' 17' ' ' LEU . 15.0 p -166.22 165.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.595 ' N ' HG22 ' A' ' 15' ' ' VAL . 6.4 mp0 -49.19 104.29 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.728 HD13 HG13 ' A' ' 15' ' ' VAL . 1.1 mp -128.37 162.6 49.69 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.581 0.705 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HD3' ' ND2' ' A' ' 92' ' ' ASN . 54.1 Cg_endo -69.79 178.52 4.5 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.315 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.1 170.23 13.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.66 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.7 Cg_endo -69.75 118.47 5.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.63 108.23 0.86 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.585 0.707 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -179.07 2.68 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.313 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.479 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 2.6 m120 40.83 44.18 1.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' A' ' 38' ' ' TRP . 51.7 tp -77.12 103.84 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -107.69 159.97 16.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.2 126.85 7.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -145.68 148.86 33.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.34 112.67 21.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.068 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.42 -12.82 57.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.051 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.674 ' HA ' HD12 ' A' ' 108' ' ' LEU . 0.6 OUTLIER -169.69 156.51 6.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.649 0.738 . . . . 0.0 110.864 -179.776 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 5.1 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.737 2.292 . . . . 0.0 112.309 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.4 p -127.41 -10.75 5.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 p -139.62 177.19 8.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.723 HD11 ' CG2' ' A' ' 107' ' ' THR . 89.1 mt -152.61 116.79 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.5 m -87.97 133.99 33.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.9 t -129.09 132.49 67.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.454 HG22 ' CB ' ' A' ' 72' ' ' SER . 59.8 p -125.55 135.09 51.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.546 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 43.6 p90 -134.55 164.33 27.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.479 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 29.0 mt-10 -111.24 165.0 12.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.8 m -86.01 130.61 49.61 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.542 0.687 . . . . 0.0 111.168 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 110.25 2.5 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.547 HG23 ' N ' ' A' ' 43' ' ' SER . 25.0 m -47.91 -46.59 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.547 ' N ' HG23 ' A' ' 42' ' ' VAL . 14.4 t -82.93 92.81 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -155.44 127.71 2.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.538 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -73.12 126.3 29.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.6 157.59 0.25 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -72.55 135.25 45.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.871 0.367 . . . . 0.0 110.855 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.1 mm -59.41 128.51 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -78.11 -49.98 12.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -151.91 162.52 40.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -116.61 139.06 50.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.478 ' HD2' ' CE1' ' A' ' 91' ' ' TYR . 7.5 tttp -116.21 114.2 24.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.561 ' O ' HG22 ' A' ' 66' ' ' VAL . 21.8 tp -103.1 131.42 50.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.453 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 4.3 m-85 -105.01 161.42 14.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -161.95 133.17 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -154.1 160.46 41.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.44 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 20.0 tt0 -85.31 138.34 32.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -60.86 103.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.91 43.82 1.37 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.532 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -127.64 -38.36 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 111.177 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.7 t70 73.88 28.81 1.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -154.41 110.52 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -108.55 156.35 19.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -115.21 -175.68 2.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.6 p30 -140.44 139.35 35.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.822 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 53' ' ' LEU . 33.5 m -127.93 134.75 64.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -76.85 102.64 6.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.44 HG23 HG23 ' A' ' 66' ' ' VAL . 72.5 t -104.57 149.3 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.1 p -113.36 -30.94 6.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.1 m -100.33 150.96 22.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.546 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 39.1 m80 -54.92 -43.37 73.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.454 ' CB ' HG22 ' A' ' 37' ' ' THR . 97.0 p -99.66 132.63 44.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -135.92 142.61 44.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.6 m -110.04 109.87 20.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.469 HD11 HD21 ' A' ' 53' ' ' LEU . 64.7 mt -87.21 110.94 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -96.83 168.86 10.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.89 62.35 2.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.501 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 60.3 mt -128.87 173.09 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.33 162.55 21.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.926 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.2 mttm -90.3 141.52 28.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 27.5 t80 47.81 45.86 18.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -130.42 132.31 45.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -74.73 148.82 40.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.44 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 49.5 m-85 -145.77 135.27 23.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.9 t -84.05 151.7 24.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.567 ' CE2' HG21 ' A' ' 34' ' ' ILE . 75.0 m-85 -146.15 139.43 25.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.453 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 6.5 ptp180 -151.1 136.74 17.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.8 t -102.98 137.36 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.4 t -124.75 134.45 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.76 139.58 30.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.478 ' CE1' ' HD2' ' A' ' 52' ' ' LYS . 30.4 m-85 -129.95 111.07 12.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 93' ' ' LYS . 52.0 p-10 -123.29 161.12 25.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 92' ' ' ASN . 14.3 ptmt -34.25 -46.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -57.88 -65.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.74 175.89 38.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 108.81 2.18 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.482 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -73.11 -164.1 8.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.66 HG21 ' HD3' ' A' ' 20' ' ' PRO . 17.3 m -48.48 178.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 111.098 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.7 t -130.86 131.62 44.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.9 p -57.98 155.62 23.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.579 0.704 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 130.05 18.71 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.707 2.271 . . . . 0.0 112.324 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -38.06 146.01 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.491 ' O ' HG12 ' A' ' 103' ' ' VAL . 81.5 t -131.8 78.61 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.44 128.47 35.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.126 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.2 p -135.58 144.96 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 37.7 ttm-85 -94.43 129.19 41.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.723 ' CG2' HD11 ' A' ' 34' ' ' ILE . 32.2 p -72.32 161.33 30.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 30' ' ' SER . 57.5 mt -63.27 152.74 36.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.7 p -100.07 123.91 44.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -77.09 -52.4 9.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.4 t -60.18 -61.56 2.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 166.97 -175.69 42.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -21.9 32.78 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.63 2.22 . . . . 0.0 112.366 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 78.5 p -86.67 105.53 16.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.6 t -128.77 95.07 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 1' ' ' GLY . 96.8 p 34.44 42.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.861 0.363 . . . . 0.0 110.874 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.5 m -99.24 -56.48 2.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.76 151.97 5.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 m -141.9 140.2 32.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 0.0 110.838 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -148.96 128.34 13.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.62 -67.36 0.24 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 9' ' ' VAL . 3.1 mmp_? 51.69 54.84 10.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 0.0 110.89 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 8' ' ' ARG . 48.9 t -34.67 137.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -102.69 82.01 2.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.0 p -125.51 78.98 1.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.83 149.11 9.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.562 0.696 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 174.52 9.4 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.323 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -46.4 140.36 4.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.532 HG22 HD23 ' A' ' 17' ' ' LEU . 7.1 p -117.19 158.17 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.756 ' O ' HD22 ' A' ' 17' ' ' LEU . 12.1 pt20 -85.84 77.39 9.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.756 HD22 ' O ' ' A' ' 16' ' ' GLN . 4.4 mm? -132.09 161.12 64.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.589 0.709 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.519 ' HD2' HD12 ' A' ' 17' ' ' LEU . 54.3 Cg_endo -69.71 169.27 19.24 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.366 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.74 174.27 29.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.439 ' HD3' HG21 ' A' ' 98' ' ' VAL . 54.0 Cg_endo -69.75 121.97 8.65 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.485 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -47.46 112.43 2.07 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.578 0.704 . . . . 0.0 111.113 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 23' ' ' ASN . 53.7 Cg_endo -69.75 -176.74 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.668 2.245 . . . . 0.0 112.342 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 22' ' ' PRO . 2.5 m120 37.4 45.11 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 38' ' ' TRP . 44.1 tp -78.44 99.6 6.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -106.61 160.06 15.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -158.39 126.98 5.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -144.72 149.92 36.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.18 105.25 16.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.057 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.34 -34.32 74.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.416 ' HA ' HD12 ' A' ' 108' ' ' LEU . 1.2 m -142.23 163.0 42.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.671 0.748 . . . . 0.0 110.853 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -4.39 13.93 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.689 2.26 . . . . 0.0 112.364 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 47.5 p -129.67 -2.11 4.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 t -134.54 173.79 11.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.403 HD11 ' CG2' ' A' ' 107' ' ' THR . 68.7 mt -150.88 131.53 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.6 m -105.65 120.46 41.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.5 t -116.11 130.43 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 30.5 p -128.35 130.36 47.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.563 ' HB3' HD12 ' A' ' 24' ' ' LEU . 46.6 p90 -132.57 166.85 21.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.485 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 4.0 mm-40 -115.31 165.05 13.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.556 HG23 ' HD2' ' A' ' 41' ' ' PRO . 88.5 m -86.02 136.24 36.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 111.121 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.556 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.9 Cg_endo -69.79 106.51 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 0.0 112.333 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.1 m -39.96 -34.45 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.4 t -93.28 104.91 17.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -151.52 101.31 0.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -47.96 -43.96 29.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.376 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.13 154.08 16.77 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.503 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -69.71 121.27 16.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.585 HG21 ' CE1' ' A' ' 51' ' ' TYR . 49.5 mm -49.25 118.32 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -76.66 -46.85 24.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -153.92 152.96 31.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE1' HG21 ' A' ' 48' ' ' ILE . 59.5 m-85 -104.97 129.4 53.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -106.14 127.81 53.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.583 ' O ' HG22 ' A' ' 66' ' ' VAL . 19.5 tp -119.68 117.71 29.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.403 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 13.1 m-85 -96.63 155.68 16.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.465 ' CE1' ' HB2' ' A' ' 64' ' ' GLN . 25.0 p90 -155.86 137.9 14.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -155.88 157.88 37.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.459 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 14.3 tt0 -86.53 133.74 33.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.471 ' HE3' ' CB ' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -57.68 94.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.07 37.57 0.87 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.507 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -125.02 -35.16 2.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.319 . . . . 0.0 111.111 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 t0 70.75 25.38 4.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.47 110.81 4.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -104.64 158.68 16.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.465 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 21.2 mm-40 -115.77 -175.04 2.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -144.05 130.65 20.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 53' ' ' LEU . 3.8 m -122.42 125.25 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 67' ' ' ASP . 0.5 OUTLIER -73.13 117.5 14.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 70' ' ' SER . 95.4 t -123.65 139.39 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.8 m -93.17 -39.04 11.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.454 ' O ' HG12 ' A' ' 68' ' ' VAL . 20.3 p -91.42 165.78 13.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -84.53 24.96 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.9 p -155.47 116.3 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -125.42 156.0 39.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.7 m -121.04 117.51 27.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.7 mt -98.3 112.32 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -103.73 175.24 5.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.41 48.03 25.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 60.9 mt -117.71 165.3 13.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -82.22 151.94 26.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -80.96 143.55 32.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.469 ' CD1' ' HB3' ' A' ' 109' ' ' SER . 2.8 t80 53.94 53.31 11.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.7 m -141.02 126.77 19.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.33 147.4 46.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.459 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 46.4 m-85 -143.48 130.16 20.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -82.81 148.29 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -142.98 142.13 31.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.403 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 16.7 ptt180 -151.03 128.61 11.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 59.6 t -101.54 138.38 25.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 69.6 t -122.52 133.22 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.445 ' HB1' HD12 ' A' ' 48' ' ' ILE . . . -87.08 128.24 35.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.086 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 32.1 m-85 -116.06 122.23 44.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.405 ' OD1' HD13 ' A' ' 48' ' ' ILE . 21.3 m-20 -114.74 163.19 15.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 94' ' ' HIS . 9.4 ptpp? -39.92 -36.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.429 ' N ' ' HG3' ' A' ' 93' ' ' LYS . 20.1 m-70 -70.8 -66.64 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.538 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . -178.8 -172.45 43.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.551 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.7 Cg_endo -69.81 132.15 22.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.373 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.433 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -88.16 -118.72 1.44 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.461 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.439 HG21 ' HD3' ' A' ' 20' ' ' PRO . 27.0 m -95.35 -177.8 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 0.0 111.133 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.0 t -129.5 110.6 11.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.6 p -44.58 158.03 0.29 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 111.125 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 130.86 20.08 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.82 132.96 1.16 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.497 ' O ' HG12 ' A' ' 103' ' ' VAL . 74.6 t -119.92 80.9 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.159 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.471 ' CB ' ' HE3' ' A' ' 58' ' ' LYS . . . -72.97 141.26 47.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.63 143.42 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.0 ttm-85 -95.1 130.18 41.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.403 ' CG2' HD11 ' A' ' 34' ' ' ILE . 39.9 p -77.3 162.13 27.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 30' ' ' SER . 33.4 mt -66.17 138.76 57.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.469 ' HB3' ' CD1' ' A' ' 81' ' ' TYR . 95.3 p -86.0 125.72 33.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -80.83 42.89 0.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.1 p -140.47 172.28 12.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.67 74.19 1.16 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.514 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -2.26 9.89 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 115' ' ' SER . 94.1 p -86.19 89.1 7.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 114' ' ' SER . 58.3 m 36.85 42.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 115' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -149.29 123.38 9.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -87.45 -53.63 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.61 125.35 2.75 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.459 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.4 m -51.48 143.99 11.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.878 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -84.75 46.85 1.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.846 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.38 -147.77 27.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.8 ptt-85 -174.57 114.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.2 m -111.8 140.03 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.25 68.0 0.75 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.8 p -145.35 113.8 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -143.97 139.23 15.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.636 0.732 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -176.47 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.726 2.284 . . . . 0.0 112.334 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -106.15 123.26 47.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 64.4 t -138.8 137.88 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -63.74 103.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.651 HD13 ' HA2' ' A' ' 97' ' ' GLY . 44.3 mt -143.04 155.5 62.16 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.61 ' HG2' ' HB3' ' A' ' 90' ' ' ALA . 54.3 Cg_endo -69.75 148.08 64.37 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.683 2.255 . . . . 0.0 112.365 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.41 173.97 55.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.462 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.7 Cg_endo -69.75 128.91 16.72 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.73 2.287 . . . . 0.0 112.336 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.95 112.04 4.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.712 . . . . 0.0 111.068 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -179.33 2.83 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.371 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.407 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 27.3 m120 40.83 49.32 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.6 tp -86.62 99.36 11.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.7 mmp_? -110.68 163.85 13.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.75 127.43 6.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -143.17 139.2 30.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.78 106.62 9.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.05 -37.3 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -144.94 162.32 38.63 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.661 0.743 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 1.8 4.1 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.323 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.516 HG22 ' HE2' ' A' ' 80' ' ' LYS . 70.3 p -131.48 -1.73 3.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.4 p -143.44 170.19 16.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.492 HD11 HG23 ' A' ' 107' ' ' THR . 89.1 mt -147.16 134.76 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.3 m -105.5 132.07 52.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.0 t -125.49 130.24 72.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.9 p -123.39 133.65 54.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.444 ' HH2' HG11 ' A' ' 68' ' ' VAL . 41.4 p90 -139.56 166.46 24.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.407 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 5.6 mm-40 -116.77 165.34 13.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.5 m -85.7 133.24 42.15 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.613 0.721 . . . . 0.0 111.114 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 114.92 3.87 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.249 . . . . 0.0 112.341 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 43' ' ' SER . 17.6 m -53.68 -38.82 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.409 ' N ' HG23 ' A' ' 42' ' ' VAL . 84.0 p -90.3 113.34 25.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.01 162.43 36.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.508 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -100.88 120.02 39.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.26 -155.57 53.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -103.42 151.98 22.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.489 HG21 ' CE1' ' A' ' 51' ' ' TYR . 20.6 mm -78.44 112.8 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -60.4 -53.75 53.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -157.19 165.73 35.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.489 ' CE1' HG21 ' A' ' 48' ' ' ILE . 27.7 m-85 -113.03 125.6 54.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.97 123.3 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.619 ' O ' HG22 ' A' ' 66' ' ' VAL . 22.7 tp -114.46 113.58 24.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.454 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 4.9 m-85 -91.22 159.12 16.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -161.85 137.03 7.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -156.36 162.15 40.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 58' ' ' LYS . 10.3 tt0 -94.31 110.47 22.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' GLU . 13.9 tptp -33.86 104.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 128.32 -39.0 1.96 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.528 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -29.4 54.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.323 . . . . 0.0 111.084 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 64.02 25.04 13.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -151.11 118.04 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.71 157.65 16.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -114.72 -174.74 2.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.53 130.01 25.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 53' ' ' LEU . 23.1 m -128.23 138.83 53.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -73.45 123.98 24.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.545 HG12 ' H ' ' A' ' 70' ' ' SER . 87.4 t -130.48 123.89 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.2 m -110.96 37.01 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.545 ' H ' HG12 ' A' ' 68' ' ' VAL . 39.2 m -152.05 146.51 25.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -55.75 -32.22 63.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.8 p -120.13 150.12 41.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -141.89 157.57 44.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.9 m -128.88 113.93 15.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.2 mt -94.39 122.41 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.01 157.53 21.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.442 ' O ' HD23 ' A' ' 78' ' ' LEU . . . 88.83 56.13 2.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 77' ' ' GLY . 26.5 mt -129.28 168.31 16.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -82.45 166.43 19.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.516 ' HE2' HG22 ' A' ' 32' ' ' THR . 0.0 OUTLIER -93.95 146.86 23.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.5 t80 52.65 44.58 29.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.4 m -129.32 135.25 48.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -76.63 145.43 38.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -141.79 132.78 26.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.7 t -88.13 151.74 22.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -147.52 140.22 24.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.454 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 6.1 ptp180 -151.05 138.49 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 90.5 t -108.16 139.77 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.403 HG22 ' CB ' ' A' ' 99' ' ' SER . 86.8 t -135.64 143.78 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.61 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -96.52 122.73 39.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.122 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.547 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 21.2 m-85 -108.79 112.5 24.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.464 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 43.8 p-10 -124.28 161.52 25.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 92' ' ' ASN . 4.8 ptpp? -36.01 -41.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -62.78 -67.36 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.524 ' O ' HD22 ' A' ' 17' ' ' LEU . . . 174.03 172.22 39.1 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.547 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.5 Cg_endo -69.79 87.52 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.651 ' HA2' HD13 ' A' ' 17' ' ' LEU . . . -51.46 -174.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.462 HG21 ' HD3' ' A' ' 20' ' ' PRO . 28.3 m -42.98 166.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.343 . . . . 0.0 111.111 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.403 ' CB ' HG22 ' A' ' 89' ' ' VAL . 43.8 t -127.23 137.28 52.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.49 158.29 21.91 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.568 0.699 . . . . 0.0 111.165 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 130.97 20.28 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.679 2.253 . . . . 0.0 112.348 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -40.69 139.29 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 86.4 t -121.68 79.79 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.43 136.64 51.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.1 p -147.02 145.88 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 42.9 ttm-85 -101.05 131.04 47.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.492 HG23 HD11 ' A' ' 34' ' ' ILE . 2.4 p -72.01 171.96 10.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.176 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 46.6 mt -74.77 143.98 43.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 83.0 p -87.46 125.29 34.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -85.21 45.19 1.15 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 54.5 m -107.23 -44.81 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -53.84 132.36 44.34 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 165.16 31.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.5 t -59.97 -37.84 80.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.7 t -74.91 -62.24 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.491 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.6 p -152.44 155.26 37.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.934 0.397 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -110.22 175.64 5.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.5 -177.8 39.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -157.4 154.23 28.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.815 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -166.56 173.75 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.98 76.81 0.26 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.4 mmm-85 -69.84 87.06 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.2 m -118.74 129.21 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -62.36 86.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.6 m -124.06 87.29 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.154 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -60.95 151.13 75.49 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.534 0.683 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 161.74 44.75 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.729 2.286 . . . . 0.0 112.334 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -100.32 -175.88 3.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.6 m -113.9 -19.26 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.458 ' CD ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -84.62 39.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.531 HD12 ' HD2' ' A' ' 18' ' ' PRO . 4.4 mm? -85.12 161.43 52.4 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.633 0.73 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HD2' HD12 ' A' ' 17' ' ' LEU . 54.2 Cg_endo -69.77 154.6 67.52 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.274 . . . . 0.0 112.33 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.23 167.25 54.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.856 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.7 Cg_endo -69.75 134.84 28.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.366 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -57.63 109.97 2.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.569 0.7 . . . . 0.0 111.118 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -178.4 2.32 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.419 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 24.1 m120 44.28 42.85 5.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.1 tp -76.92 102.59 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -111.94 163.0 14.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -160.75 127.0 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -143.49 148.63 36.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.66 109.45 20.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.076 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.78 -38.65 58.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.613 ' HA ' HD12 ' A' ' 108' ' ' LEU . 7.2 m -138.41 158.41 70.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.643 0.735 . . . . 0.0 110.844 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.95 2.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.8 p -131.95 -3.2 3.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 p -138.76 176.86 8.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.814 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.893 HD11 HG23 ' A' ' 107' ' ' THR . 62.3 mt -156.42 129.42 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.7 m -103.22 139.74 38.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.6 t -132.92 131.75 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.1 p -123.67 129.82 51.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.509 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 49.0 p90 -134.01 162.92 30.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.981 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.449 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 33.4 mm-40 -114.34 165.22 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.638 HG23 ' HD2' ' A' ' 41' ' ' PRO . 89.5 m -85.67 137.95 35.89 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.589 0.709 . . . . 0.0 111.173 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.638 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.82 124.6 11.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.74 -28.8 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.2 t -93.44 166.68 12.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.48 -171.3 18.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -128.3 106.54 9.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.29 168.01 40.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -88.06 156.39 19.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 49' ' ' GLN . 25.5 mm -83.81 156.24 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.446 ' N ' HG22 ' A' ' 48' ' ' ILE . 2.7 mp0 -118.48 -38.62 3.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -143.37 160.39 40.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -127.49 117.21 21.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.552 ' HD2' ' CE1' ' A' ' 91' ' ' TYR . 10.4 ttmm -90.27 131.91 35.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.7 tp -121.13 125.39 47.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 1.6 m-85 -103.21 148.1 26.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -151.58 133.12 14.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -157.18 162.23 39.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.576 ' HG3' ' CE2' ' A' ' 84' ' ' TYR . 33.7 mt-10 -82.21 136.81 35.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -59.88 101.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.86 42.95 2.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.469 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 m -124.27 -35.51 2.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 111.164 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t70 71.48 27.7 3.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -134.8 82.4 1.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.401 ' OE2' ' NE ' ' A' ' 87' ' ' ARG . 4.0 tt0 -73.38 150.47 41.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.409 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 21.4 mt-30 -122.93 -179.47 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -153.72 130.79 11.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.5 m -127.56 132.81 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -77.82 117.15 18.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.8 t -124.3 145.67 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.6 t -103.27 -36.48 8.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.6 m -80.82 172.11 14.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.509 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 16.8 m80 -79.73 -34.16 40.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.9 p -112.04 143.59 42.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -139.29 149.91 44.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.7 m -117.45 116.41 27.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.9 mt -95.53 118.18 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -105.78 172.06 7.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.3 56.45 4.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.446 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.401 HD12 HG13 ' A' ' 34' ' ' ILE . 38.9 mt -129.15 162.44 27.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -76.66 170.98 15.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -97.68 141.96 30.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.7 t80 55.87 44.09 26.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.4 m -127.01 136.03 51.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.158 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -79.0 144.83 34.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 57' ' ' GLU . 42.1 m-85 -140.75 130.15 23.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.0 t -84.31 149.64 25.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.418 ' CE2' HG21 ' A' ' 34' ' ' ILE . 79.0 m-85 -146.28 140.53 26.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.43 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 5.5 ptp180 -151.01 132.7 14.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 72.0 t -100.54 129.63 51.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.0 t -118.78 137.81 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.513 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -86.98 125.11 33.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 23.5 m-85 -121.41 108.2 13.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -117.69 171.25 8.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.596 ' HE3' ' CE1' ' A' ' 94' ' ' HIS . 38.7 pttt -42.66 -41.87 3.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.596 ' CE1' ' HE3' ' A' ' 93' ' ' LYS . 24.6 m80 -61.85 -70.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.528 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 177.03 -178.59 48.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.0 Cg_endo -69.69 125.65 12.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 0.0 112.387 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.437 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -93.59 -168.8 38.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.856 HG21 ' HD3' ' A' ' 20' ' ' PRO . 18.3 m -43.17 167.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.1 t -125.85 124.09 40.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.3 p -55.08 157.24 6.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 0.0 111.129 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 130.72 19.76 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.637 2.225 . . . . 0.0 112.327 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -38.55 133.99 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.562 ' O ' HG12 ' A' ' 103' ' ' VAL . 79.1 t -118.74 77.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.32 139.55 54.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.1 p -145.44 141.78 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.3 ttm105 -90.86 125.29 35.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.893 HG23 HD11 ' A' ' 34' ' ' ILE . 3.8 p -73.29 154.45 40.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 30' ' ' SER . 34.9 mt -56.93 141.86 43.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.2 p -90.51 133.3 35.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -83.65 45.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.1 t -96.51 99.66 11.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.403 ' HA3' ' HD2' ' A' ' 113' ' ' PRO . . . -111.44 -143.93 9.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.403 ' HD2' ' HA3' ' A' ' 112' ' ' GLY . 54.0 Cg_endo -69.73 135.5 30.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.357 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 82.5 p -141.93 146.85 36.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.7 t -78.81 90.89 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 t -114.65 -56.5 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m 61.99 41.69 10.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.34 104.8 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -172.68 143.32 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.366 . . . . 0.0 110.869 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -75.71 -65.63 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . 98.01 -115.63 5.33 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.544 ' NE ' ' N ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -36.45 153.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.842 -179.863 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.3 m -118.52 175.6 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -98.71 166.03 11.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.9 m -154.43 151.81 29.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.411 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -100.61 111.65 63.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.918 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 12' ' ' GLN . 53.4 Cg_endo -69.75 -176.97 1.66 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.716 2.277 . . . . 0.0 112.329 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -90.95 -174.98 4.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.4 m -103.04 -35.83 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.61 ' O ' HD12 ' A' ' 17' ' ' LEU . 8.7 pt20 -85.17 62.53 7.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.663 HD23 ' HA2' ' A' ' 97' ' ' GLY . 1.4 mp -127.41 161.27 55.68 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.687 0.756 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HD3' ' ND2' ' A' ' 92' ' ' ASN . 53.9 Cg_endo -69.78 -179.54 2.99 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.686 2.258 . . . . 0.0 112.345 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.28 168.73 13.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.695 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.6 Cg_endo -69.77 132.84 24.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -61.42 112.24 5.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.554 0.693 . . . . 0.0 111.126 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 23' ' ' ASN . 53.4 Cg_endo -69.77 -174.11 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.702 2.268 . . . . 0.0 112.34 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 22' ' ' PRO . 2.8 m-20 33.99 51.6 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.422 HD12 ' HB3' ' A' ' 38' ' ' TRP . 51.1 tp -82.32 106.22 14.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 mmm-85 -111.77 162.3 15.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.482 ' HB3' HG11 ' A' ' 103' ' ' VAL . . . -160.95 126.64 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -144.46 145.52 31.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' ' 107' ' ' THR . . . -87.42 107.51 18.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.54 -35.56 70.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 m -137.65 160.81 63.57 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.665 0.745 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -1.94 9.31 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.643 2.229 . . . . 0.0 112.388 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.3 p -126.42 -16.6 5.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.8 m -130.21 169.35 15.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.545 HD11 HG23 ' A' ' 107' ' ' THR . 94.1 mt -144.01 148.79 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 78.4 m -117.73 117.03 28.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.3 t -111.99 134.97 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 46.5 p -132.03 130.36 41.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.601 ' CZ2' ' O ' ' A' ' 71' ' ' HIS . 39.7 p90 -129.66 169.09 15.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.406 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 4.8 mm-40 -115.75 164.54 14.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.4 m -86.1 130.96 48.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 111.142 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 108.56 2.12 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.707 2.271 . . . . 0.0 112.326 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.1 m -49.32 -20.81 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.159 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.5 t -89.89 157.97 17.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.23 159.01 7.75 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.569 ' ND2' ' CE1' ' A' ' 94' ' ' HIS . 14.3 p-10 -104.69 -44.64 4.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 110.858 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -102.02 -178.15 27.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -95.09 137.53 34.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.361 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.715 HG21 ' CZ ' ' A' ' 51' ' ' TYR . 21.4 mm -68.06 112.83 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -79.15 -54.1 6.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -141.83 154.71 45.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.715 ' CZ ' HG21 ' A' ' 48' ' ' ILE . 46.5 m-85 -108.5 137.83 45.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -107.97 135.04 50.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.663 ' O ' HG22 ' A' ' 66' ' ' VAL . 19.3 tp -131.67 115.5 16.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.551 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 1.5 m-85 -95.58 158.7 15.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -159.97 132.79 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.5 ptt? -158.68 162.1 37.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.411 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 19.6 tt0 -82.19 133.43 35.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -60.38 99.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.23 42.77 0.88 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.73 -32.31 1.48 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.747 0.308 . . . . 0.0 111.118 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 0.5 OUTLIER 67.84 26.43 7.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.48 75.67 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.0 149.59 49.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.551 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 69.8 mt-30 -121.69 175.1 6.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.02 130.79 15.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.663 HG22 ' O ' ' A' ' 53' ' ' LEU . 30.9 m -128.12 141.05 47.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -84.31 116.36 22.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.2 t -117.7 152.15 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.0 t -107.63 -37.51 6.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.6 m -95.52 155.17 16.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.601 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 71.5 m80 -60.61 -38.55 85.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.4 m -103.03 123.33 46.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -123.43 160.12 27.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 84.8 m -123.08 114.82 20.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.165 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.0 mt -95.06 114.77 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -108.38 150.76 26.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.99 55.95 1.55 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 65.8 mt -123.92 174.06 7.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.894 0.378 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -80.77 154.11 27.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -82.83 144.97 29.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.484 ' CE1' ' HD3' ' A' ' 106' ' ' ARG . 53.5 t80 42.11 46.05 3.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 34.5 m -127.87 136.81 51.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.174 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -70.66 148.53 47.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 35.8 m-85 -149.0 130.52 14.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 t -83.05 155.59 23.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -150.93 142.25 23.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.455 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 4.4 ptp180 -151.17 161.02 43.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.1 t -130.73 133.0 63.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.173 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 94.0 t -123.37 135.7 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.93 126.22 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 39.3 m-85 -117.23 106.94 13.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.418 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 51.4 p-10 -118.71 177.62 4.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -45.88 -49.25 15.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.569 ' CE1' ' ND2' ' A' ' 45' ' ' ASN . 19.1 m170 -55.59 -65.22 0.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 166.85 -179.85 40.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.553 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.0 Cg_endo -69.75 109.7 2.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.652 2.235 . . . . 0.0 112.377 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.663 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -80.09 -164.06 29.16 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.508 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.695 HG21 ' HD3' ' A' ' 20' ' ' PRO . 24.9 m -46.37 168.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.827 0.346 . . . . 0.0 111.145 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.4 t -126.73 131.18 51.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.7 p -57.7 158.09 12.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.552 0.691 . . . . 0.0 111.138 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 131.22 20.77 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.62 146.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.485 ' O ' HG12 ' A' ' 103' ' ' VAL . 77.4 t -126.33 78.84 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.37 126.14 28.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.3 p -137.26 146.37 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.484 ' HD3' ' CE1' ' A' ' 81' ' ' TYR . 37.3 ttm-85 -100.77 123.0 44.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.545 HG23 HD11 ' A' ' 34' ' ' ILE . 6.3 p -62.98 174.77 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 28.6 mt -75.04 150.99 38.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.0 p -90.9 134.89 34.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -105.58 -55.54 2.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 112' ' ' GLY . 11.1 t -86.16 132.68 33.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.818 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 111' ' ' SER . . . -36.54 146.6 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.521 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 114' ' ' SER . 53.3 Cg_endo -69.75 125.2 11.87 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.707 2.271 . . . . 0.0 112.286 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 113' ' ' PRO . 72.1 p 34.42 42.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.3 t -51.71 127.39 20.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.819 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.1 t -171.36 157.12 4.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.3 p -132.07 -50.19 0.95 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.18 -166.68 14.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.5 m -149.85 177.33 9.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.817 0.341 . . . . 0.0 110.887 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 t -170.05 163.7 9.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.82 51.04 0.38 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -111.34 41.44 1.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.928 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -106.04 40.11 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -86.7 156.83 19.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.3 m -110.24 111.8 23.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.161 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -138.18 145.72 48.69 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -174.93 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.342 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -64.61 137.8 58.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.635 HG23 HD12 ' A' ' 17' ' ' LEU . 17.8 m -120.91 165.01 16.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.088 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.51 ' HB3' ' ND2' ' A' ' 45' ' ' ASN . 32.3 mt-30 -75.69 101.41 5.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.635 HD12 HG23 ' A' ' 15' ' ' VAL . 39.2 mt -151.42 155.7 34.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 165.88 29.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.46 169.29 25.98 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ALA . 53.3 Cg_endo -69.78 111.6 2.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.231 . . . . 0.0 112.326 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' PRO . . . -34.86 115.32 0.51 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 0.0 111.097 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 173.5 10.89 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.367 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.9 m120 47.31 49.62 15.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 tp -84.54 103.94 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -113.47 158.45 20.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.78 129.91 10.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -145.4 145.28 31.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 107' ' ' THR . . . -84.07 100.7 11.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.77 -46.09 83.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -130.03 162.35 54.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.691 0.758 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -3.76 12.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.745 2.296 . . . . 0.0 112.335 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.9 p -130.52 9.08 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -147.98 171.88 15.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.544 HD11 HG23 ' A' ' 107' ' ' THR . 80.8 mt -151.54 125.3 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.5 m -100.35 127.32 46.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.8 t -118.16 127.95 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.1 p -121.12 143.3 49.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 45.1 p90 -145.82 -178.65 6.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -122.29 166.26 14.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.488 HG23 ' HD2' ' A' ' 41' ' ' PRO . 74.9 m -84.34 134.62 42.62 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.537 0.684 . . . . 0.0 111.189 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.488 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.6 Cg_endo -69.79 145.48 57.12 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 42' ' ' VAL . 28.2 m -75.37 55.59 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.15 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 44' ' ' GLY . 58.0 m 47.65 54.95 9.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 43' ' ' SER . . . -33.79 -44.66 0.34 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.51 ' ND2' ' HB3' ' A' ' 16' ' ' GLN . 13.1 t-20 -128.43 -54.88 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -142.02 -112.54 0.92 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -118.77 149.94 40.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.1 mm -90.39 138.82 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -98.95 -57.7 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -144.14 172.45 12.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -122.29 118.84 29.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.455 ' HE2' ' CE1' ' A' ' 91' ' ' TYR . 5.0 tppt? -95.78 129.69 42.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.438 ' O ' HG22 ' A' ' 66' ' ' VAL . 64.6 tp -114.87 123.69 49.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.936 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.445 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 2.3 m-85 -104.84 154.32 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -160.27 130.54 5.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -156.23 154.92 31.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -82.02 130.73 35.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.17 96.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.89 39.09 0.67 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.444 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.82 -27.77 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 111.167 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 63.96 26.4 14.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -147.74 110.75 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.409 ' CD ' ' HB3' ' A' ' 54' ' ' TYR . 24.3 tt0 -106.11 151.04 25.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -117.22 169.96 9.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -130.84 128.79 41.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 53' ' ' LEU . 35.1 m -120.16 136.43 57.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.52 120.92 17.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.3 t -127.67 127.72 68.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.6 m -116.51 49.92 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.4 p -163.07 167.08 22.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -79.12 -23.76 43.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 94.0 p -130.83 127.57 38.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -131.01 143.73 50.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 87.3 m -112.96 127.35 56.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.11 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.424 HD11 HD21 ' A' ' 53' ' ' LEU . 44.8 mt -107.33 111.47 35.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -100.02 155.42 17.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.78 47.88 2.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.538 HD12 HG13 ' A' ' 34' ' ' ILE . 28.8 mt -121.86 157.56 30.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.871 0.367 . . . . 0.0 110.95 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -71.82 156.65 39.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.64 145.73 28.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.505 ' CD1' ' HB2' ' A' ' 109' ' ' SER . 4.0 t80 48.75 44.33 21.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.8 m -128.43 128.49 44.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -70.22 147.66 49.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -146.23 131.15 18.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 t -83.2 155.27 23.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.442 ' CE2' HG21 ' A' ' 34' ' ' ILE . 78.9 m-85 -149.52 136.98 20.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.445 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 12.0 ptp180 -151.17 134.12 15.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 88.8 t -104.99 135.44 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.562 HG22 ' HB2' ' A' ' 99' ' ' SER . 88.8 t -117.34 129.72 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.53 114.24 23.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.067 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 41.6 m-85 -99.2 108.01 20.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -107.8 158.97 16.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -39.6 -32.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -75.47 -63.4 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.46 172.77 45.56 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.565 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.1 Cg_endo -69.78 86.79 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.54 ' HA2' HD13 ' A' ' 17' ' ' LEU . . . -50.6 -179.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.3 m -41.86 163.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 111.118 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.562 ' HB2' HG22 ' A' ' 89' ' ' VAL . 31.9 t -123.98 136.68 54.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.1 p -51.81 153.31 4.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.708 . . . . 0.0 111.151 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 102' ' ' ASP . 53.7 Cg_endo -69.8 131.0 20.27 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 101' ' ' PRO . 4.5 p-10 -33.74 133.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.717 ' O ' HG12 ' A' ' 103' ' ' VAL . 41.3 t -120.32 75.37 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.98 142.8 58.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.4 p -150.02 144.38 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.2 ttm-85 -95.97 131.25 42.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.544 HG23 HD11 ' A' ' 34' ' ' ILE . 15.8 p -80.26 165.24 22.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.8 mt -69.27 139.73 54.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.505 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 40.0 t -93.05 119.06 31.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -62.29 106.59 0.77 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 95.6 p -83.25 -47.92 11.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 161.96 -80.65 0.14 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 100.69 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.67 2.247 . . . . 0.0 112.384 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 115' ' ' SER . 2.0 m -77.46 145.64 36.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 114' ' ' SER . 1.2 t 36.16 42.09 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p 45.78 42.29 8.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.879 0.371 . . . . 0.0 110.887 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 m 50.28 41.74 24.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.92 112.75 4.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -136.65 150.43 48.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.851 0.357 . . . . 0.0 110.859 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -162.52 105.55 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.789 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.32 74.6 1.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -80.36 98.27 7.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.3 m -96.68 137.16 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 12' ' ' GLN . 10.7 tt0 -96.59 -10.24 27.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 10' ' ' GLU . 32.2 p 34.02 34.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 10' ' ' GLU . 9.3 pt20 -38.66 107.47 0.42 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.617 0.722 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 174.84 8.96 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -51.66 172.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.7 m -89.81 62.99 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -129.76 43.16 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.531 HD12 ' HD2' ' A' ' 18' ' ' PRO . 4.5 mm? -110.31 161.35 24.88 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.629 0.728 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HD2' HD12 ' A' ' 17' ' ' LEU . 53.6 Cg_endo -69.75 170.75 15.84 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.734 2.289 . . . . 0.0 112.355 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.0 171.36 29.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.953 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.5 Cg_endo -69.79 123.92 10.56 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.661 2.24 . . . . 0.0 112.351 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.634 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -55.58 110.4 2.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.526 0.679 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -178.51 2.34 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.648 2.232 . . . . 0.0 112.383 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.48 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 22.9 m120 44.38 47.26 8.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.5 tp -80.92 103.8 10.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.971 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -111.9 158.05 19.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.56 127.1 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.507 ' CE2' ' HB ' ' A' ' 35' ' ' THR . 17.7 p90 -143.02 141.45 31.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.17 104.62 9.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.01 -29.35 62.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 m -151.46 159.29 33.63 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.663 0.744 . . . . 0.0 110.846 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 3.37 2.8 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.9 p -129.5 -8.3 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.44 ' C ' HG13 ' A' ' 34' ' ' ILE . 1.8 p -139.5 176.78 8.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.442 HD12 ' HZ ' ' A' ' 86' ' ' PHE . 95.4 mt -151.0 122.54 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.507 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 99.1 m -91.58 125.56 36.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 39.8 t -122.3 133.46 68.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.809 HG22 ' HB2' ' A' ' 72' ' ' SER . 68.4 p -126.23 130.29 50.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.54 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 41.2 p90 -131.43 166.64 20.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.634 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 47.1 mm-40 -116.03 165.12 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.563 HG23 ' HD2' ' A' ' 41' ' ' PRO . 87.2 m -85.81 136.59 36.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.537 0.684 . . . . 0.0 111.147 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.563 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.81 117.22 4.96 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.315 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.3 m -50.86 -38.16 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.5 m -89.81 132.23 35.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.24 134.03 2.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.507 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -56.34 -41.92 76.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.04 172.77 27.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -60.3 134.67 57.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.821 0.344 . . . . 0.0 110.931 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.931 HD13 ' OD1' ' A' ' 92' ' ' ASN . 19.1 mm -64.77 136.07 27.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.127 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -85.94 -55.25 4.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -146.49 163.43 35.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -112.67 136.36 52.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' HE2' ' CE1' ' A' ' 91' ' ' TYR . 1.3 tppt? -109.42 129.81 55.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.603 ' O ' HG22 ' A' ' 66' ' ' VAL . 24.4 tp -124.72 106.24 9.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.43 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 3.1 m-85 -86.8 159.04 19.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -158.43 136.41 10.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -156.9 161.57 39.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -84.72 135.8 33.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -59.24 103.15 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.8 38.93 1.49 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.535 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -128.49 -39.34 1.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.763 0.316 . . . . 0.0 111.144 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.2 t0 72.48 28.46 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -149.99 108.56 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -110.14 161.35 15.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -116.61 -176.33 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.59 131.02 35.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 66' ' ' VAL . 15.6 m -124.46 116.8 48.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.68 118.65 12.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.1 t -121.54 146.61 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.8 p -100.21 -39.21 8.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.1 m -83.04 162.16 21.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.54 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 13.2 m80 -64.15 -37.81 88.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.809 ' HB2' HG22 ' A' ' 37' ' ' THR . 2.6 t -109.45 152.38 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -151.09 156.33 40.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.4 m -119.08 122.49 42.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.6 mt -100.55 104.0 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.099 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.26 172.3 8.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.05 50.21 4.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.2 mt -125.22 176.54 6.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.92 0.39 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -83.08 161.45 21.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -87.85 137.67 32.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.581 ' CE1' ' HD3' ' A' ' 106' ' ' ARG . 6.7 t80 52.04 46.25 26.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.2 m -126.91 143.57 51.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.174 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -77.32 151.27 35.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -153.0 132.1 12.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 t -86.23 159.73 19.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.442 ' HZ ' HD12 ' A' ' 34' ' ' ILE . 96.2 m-85 -153.61 139.85 18.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.43 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 6.8 ptp180 -148.09 132.07 17.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 71.5 t -99.5 126.54 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.5 t -121.27 129.84 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.709 ' HB1' HD12 ' A' ' 48' ' ' ILE . . . -87.0 127.23 35.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 29.5 m-85 -112.58 106.91 15.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.931 ' OD1' HD13 ' A' ' 48' ' ' ILE . 10.2 m-20 -100.48 164.7 11.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -40.29 -29.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.448 ' N ' ' HG2' ' A' ' 93' ' ' LYS . 48.3 m-70 -75.53 -51.79 12.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.522 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 160.76 -166.2 35.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.45 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.555 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.5 Cg_endo -69.78 125.06 11.7 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.439 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -94.53 -162.53 35.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.953 HG21 ' HD3' ' A' ' 20' ' ' PRO . 30.4 m -41.98 165.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 0.0 111.113 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.1 t -123.99 119.25 29.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 p -56.79 157.26 10.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.514 0.673 . . . . 0.0 111.188 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 130.39 19.31 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.731 2.288 . . . . 0.0 112.346 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.22 145.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.54 ' O ' HG12 ' A' ' 103' ' ' VAL . 76.5 t -130.7 79.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.09 138.62 47.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.6 p -150.49 147.03 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.581 ' HD3' ' CE1' ' A' ' 81' ' ' TYR . 34.1 ttm-85 -95.37 130.2 42.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.5 p -72.01 176.49 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 23.0 mt -83.55 156.63 22.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.4 t -106.71 143.88 34.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -99.16 -46.95 5.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.1 m -119.92 -57.47 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 62.68 176.58 3.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 1.89 3.99 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.2 p -42.43 160.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 69.2 p -106.52 -41.95 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.461 -179.936 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 p -163.83 109.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.362 . . . . 0.0 110.828 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.4 p -43.94 -36.97 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.95 -137.08 2.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 m 40.59 46.16 2.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 110.835 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.6 p -103.14 144.66 31.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.96 41.94 1.22 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.466 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.1 mmm-85 -128.59 151.11 49.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.918 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 9' ' ' VAL . 28.6 m -82.62 115.99 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.444 ' C ' ' CD ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -144.4 112.02 6.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 t -157.2 139.06 14.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.165 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -73.84 137.7 76.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.636 0.731 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 4.36 2.27 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.686 2.257 . . . . 0.0 112.293 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -89.76 124.21 34.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.9 t -117.11 50.88 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -98.97 43.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.537 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 4.4 mm? -107.74 157.58 35.57 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.723 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.517 ' HD2' ' CD1' ' A' ' 17' ' ' LEU . 53.9 Cg_endo -69.76 156.08 64.25 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.66 172.78 50.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.755 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.8 Cg_endo -69.75 143.83 52.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.648 2.232 . . . . 0.0 112.392 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -70.93 115.92 41.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.582 0.706 . . . . 0.0 111.08 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -176.16 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.636 2.224 . . . . 0.0 112.329 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.421 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 23.9 m120 39.33 50.27 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.9 tp -85.7 101.22 12.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -109.92 163.36 13.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.412 ' CB ' HG11 ' A' ' 103' ' ' VAL . . . -158.82 129.6 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -150.18 142.24 23.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.55 112.19 19.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.39 -27.32 38.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.059 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 m -141.66 157.3 65.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.699 0.762 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -1.28 8.22 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.364 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.5 p -129.1 -6.45 4.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.162 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -138.79 172.14 13.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.512 HD11 HG23 ' A' ' 107' ' ' THR . 97.1 mt -146.98 142.64 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 79.0 m -111.21 126.0 54.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.2 t -120.04 134.28 64.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.8 p -130.5 139.65 50.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 30.4 p90 -141.99 179.57 6.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.425 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 4.7 mm-40 -126.03 165.21 19.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.472 HG23 ' HD2' ' A' ' 41' ' ' PRO . 38.0 m -85.43 134.06 41.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 111.114 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.472 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.79 118.51 5.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 2.229 . . . . 0.0 112.33 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.527 HG23 ' N ' ' A' ' 43' ' ' SER . 15.8 m -60.5 -45.08 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.527 ' N ' HG23 ' A' ' 42' ' ' VAL . 74.4 m -93.75 130.92 39.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -172.8 -159.27 19.06 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -128.88 98.48 4.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.45 -158.25 35.55 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.538 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -101.52 146.92 27.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.657 HG21 ' CE1' ' A' ' 51' ' ' TYR . 28.9 mm -81.25 132.7 30.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -86.93 -65.75 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -136.94 161.89 34.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.657 ' CE1' HG21 ' A' ' 48' ' ' ILE . 52.8 m-85 -115.38 122.99 47.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.43 141.99 28.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.845 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.454 ' O ' HG22 ' A' ' 66' ' ' VAL . 18.6 tp -134.64 130.99 37.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.447 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 4.4 m-85 -111.41 162.81 14.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -160.56 131.98 5.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -151.94 162.1 41.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -90.59 130.87 36.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -54.94 98.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.17 32.92 1.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.506 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -123.55 -26.83 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 60.43 31.03 20.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -157.89 112.5 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -108.19 158.06 17.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.447 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 21.2 mm100 -109.89 -177.91 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.94 132.48 32.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 53' ' ' LEU . 16.1 m -129.23 140.44 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -73.35 132.63 43.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.598 HG22 ' CD2' ' A' ' 73' ' ' TYR . 85.2 t -138.83 129.23 33.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.2 m -121.89 44.25 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.821 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.422 ' H ' HG12 ' A' ' 68' ' ' VAL . 21.5 p -163.98 165.28 22.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.451 ' HE2' ' HG1' ' A' ' 40' ' ' THR . 49.9 m80 -83.44 9.61 10.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 94.8 p -147.69 132.06 17.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.598 ' CD2' HG22 ' A' ' 68' ' ' VAL . 47.6 t80 -141.54 156.08 45.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 34.7 m -131.66 121.21 23.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 77.0 mt -100.09 120.72 49.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -111.95 159.47 18.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.63 51.12 2.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 54.0 mt -121.78 173.79 7.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.863 0.364 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -83.66 165.79 18.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -90.16 142.78 27.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.7 t80 48.24 49.28 17.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.2 m -131.35 145.65 51.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -81.91 152.88 26.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -151.67 129.59 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 t -84.61 154.51 22.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -147.22 138.47 23.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -148.57 139.67 23.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.0 t -108.23 141.74 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.4 t -133.31 131.28 57.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.09 130.37 34.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 34.9 m-85 -118.65 120.45 37.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.504 HD21 HD13 ' A' ' 48' ' ' ILE . 4.5 m-20 -127.25 168.26 14.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.456 ' HE3' ' CE1' ' A' ' 94' ' ' HIS . 29.3 pttt -39.7 -44.53 1.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.456 ' CE1' ' HE3' ' A' ' 93' ' ' LYS . 12.2 m-70 -61.78 -60.53 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 164.9 -175.81 40.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.449 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.4 Cg_endo -69.73 129.25 17.3 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.386 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.455 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -90.03 -150.85 24.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.755 HG21 ' HD3' ' A' ' 20' ' ' PRO . 20.0 m -60.54 -179.8 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 111.089 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.4 t -135.91 115.19 12.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -47.67 160.37 0.39 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.641 0.734 . . . . 0.0 111.086 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 134.06 27.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -44.08 133.71 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.467 ' O ' HG12 ' A' ' 103' ' ' VAL . 73.8 t -117.37 83.53 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -78.02 137.72 38.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.111 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.3 p -149.9 145.59 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.5 ttm-85 -95.26 133.07 39.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.512 HG23 HD11 ' A' ' 34' ' ' ILE . 14.7 p -76.98 171.23 15.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.1 mt -74.2 153.52 39.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.8 t -105.56 119.44 39.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -84.36 97.9 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 m -118.14 43.38 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.05 -158.02 48.33 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 92.73 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.674 2.249 . . . . 0.0 112.333 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.5 t -104.19 109.62 21.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.9 t -141.88 126.01 17.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.509 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.465 HD23 ' HA2' ' A' ' 97' ' ' GLY . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.609 0.719 . . . . 0.0 110.899 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.494 ' CG ' ' HB3' ' A' ' 90' ' ' ALA . 53.9 Cg_endo -69.72 161.66 45.07 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.716 2.278 . . . . 0.0 112.331 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.91 176.68 27.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.507 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.728 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.4 Cg_endo -69.76 130.89 20.12 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -68.11 113.39 14.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.546 0.689 . . . . 0.0 111.108 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -177.37 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.4 m120 42.73 51.25 5.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.6 tp -89.8 102.79 15.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.1 mmm-85 -116.3 156.91 25.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.91 127.2 9.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -141.73 140.84 33.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.68 101.22 6.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.81 -21.36 62.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -156.94 160.8 30.47 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.666 0.746 . . . . 0.0 110.843 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -3.82 12.8 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.636 2.224 . . . . 0.0 112.356 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.42 HG22 ' HE3' ' A' ' 80' ' ' LYS . 60.6 p -130.9 1.55 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.79 169.05 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.458 HD11 HG23 ' A' ' 107' ' ' THR . 95.9 mt -150.2 134.37 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 45.9 m -104.98 130.56 53.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.6 t -123.61 127.7 74.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.2 p -123.25 131.41 53.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 44.5 p90 -138.96 167.77 21.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.554 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 9.7 mm-40 -117.43 165.34 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.671 HG23 ' HD2' ' A' ' 41' ' ' PRO . 90.1 m -85.56 138.79 35.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.613 0.72 . . . . 0.0 111.152 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.9 Cg_endo -69.75 132.13 22.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.92 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.681 HD12 ' HB1' ' A' ' 90' ' ' ALA . 21.5 mm . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.776 0.322 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -54.89 -57.95 9.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -149.94 151.22 33.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -96.66 121.95 39.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -92.47 116.05 28.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.678 ' O ' HG22 ' A' ' 66' ' ' VAL . 27.5 tp -106.88 108.59 20.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.437 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 2.2 m-85 -86.06 154.86 21.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -159.52 133.13 7.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -155.76 161.55 40.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -91.0 134.14 34.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -55.46 100.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.59 37.1 1.34 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.448 ' O ' ' CG ' ' A' ' 61' ' ' ASP . 0.6 OUTLIER -126.41 -26.38 3.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.325 . . . . 0.0 111.14 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 60' ' ' THR . 1.2 p30 53.28 25.28 4.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -131.86 70.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -61.62 152.75 29.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -124.78 -174.84 3.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -152.83 135.81 15.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 53' ' ' LEU . 29.3 m -128.45 137.46 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -71.7 124.43 24.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.515 HG12 ' H ' ' A' ' 70' ' ' SER . 42.4 t -143.78 136.99 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.2 p -125.45 39.07 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.515 ' H ' HG12 ' A' ' 68' ' ' VAL . 13.7 p -143.08 169.88 16.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -95.88 24.27 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.1 p -169.59 120.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -135.44 145.34 47.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.4 m -115.43 125.41 53.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.134 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.7 mt -103.5 106.87 20.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.171 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -94.6 -179.98 5.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.27 51.98 19.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.8 mt -126.88 164.6 21.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.892 0.377 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -74.16 168.91 18.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.42 ' HE3' HG22 ' A' ' 32' ' ' THR . 0.6 OUTLIER -100.06 129.07 46.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.469 ' CD1' ' HB2' ' A' ' 109' ' ' SER . 22.9 t80 70.63 25.11 4.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.9 m -108.7 144.72 36.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.182 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -83.64 151.11 25.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -150.72 127.51 10.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 t -82.76 151.01 26.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -145.28 139.36 27.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.437 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 9.8 ptp180 -150.57 138.12 19.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 98.8 t -102.51 142.93 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.8 t -138.26 135.61 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.681 ' HB1' HD12 ' A' ' 48' ' ' ILE . . . -90.8 123.83 34.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.489 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 28.7 m-85 -114.1 112.86 23.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -125.26 171.61 10.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 94' ' ' HIS . 7.0 pttm -43.91 -43.03 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 93' ' ' LYS . 98.0 m-70 -60.53 -69.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 169.5 172.81 36.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.425 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.489 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.8 Cg_endo -69.76 105.42 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.372 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.465 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -75.15 -167.01 19.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.728 HG21 ' HD3' ' A' ' 20' ' ' PRO . 18.8 m -41.04 160.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.342 . . . . 0.0 111.187 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.8 t -121.72 133.97 54.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.85 160.45 15.31 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.586 0.708 . . . . 0.0 111.142 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 138.08 37.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.651 2.234 . . . . 0.0 112.385 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -49.42 138.91 12.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.3 t -122.01 87.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.98 135.96 35.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.5 p -148.38 138.28 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.6 ttm-85 -90.72 137.59 32.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.458 HG23 HD11 ' A' ' 34' ' ' ILE . 14.9 p -78.79 166.44 22.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 51.0 mt -68.43 146.68 52.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.469 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 15.2 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.626 HD23 ' HA2' ' A' ' 97' ' ' GLY . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.591 0.71 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 172.21 13.07 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.679 2.253 . . . . 0.0 112.316 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.79 175.22 24.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.56 ' HD3' HG21 ' A' ' 98' ' ' VAL . 54.1 Cg_endo -69.76 130.58 19.59 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.266 . . . . 0.0 112.338 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -54.59 115.28 8.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.517 0.675 . . . . 0.0 111.073 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -178.32 2.29 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 40.95 49.23 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.455 ' CD2' HG21 ' A' ' 103' ' ' VAL . 26.8 tp -76.26 102.02 5.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.77 133.19 45.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.7 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -132.59 133.61 43.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -132.38 137.29 47.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.72 109.45 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.82 -27.93 63.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -150.99 161.64 29.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.683 0.754 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 0.53 5.5 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.319 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.0 p -129.69 -2.58 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.3 p -141.43 174.57 10.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.602 HD11 HG23 ' A' ' 107' ' ' THR . 96.2 mt -151.33 132.17 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.3 m -104.82 98.59 8.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.7 HG13 ' HB2' ' A' ' 26' ' ' ALA . 18.7 t -88.11 137.67 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.1 p -126.38 156.44 40.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.631 ' CG ' HG21 ' A' ' 88' ' ' VAL . 48.2 p90 -163.06 158.13 21.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.556 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 15.6 mm-40 -109.14 165.07 11.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.455 HG23 ' HD2' ' A' ' 41' ' ' PRO . 87.6 m -85.94 133.5 41.15 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.592 0.711 . . . . 0.0 111.13 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.455 ' HD2' HG23 ' A' ' 40' ' ' THR . 54.1 Cg_endo -69.72 109.86 2.41 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.235 . . . . 0.0 112.387 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.8 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.157 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.433 HD12 ' HB1' ' A' ' 90' ' ' ALA . 13.0 mm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.805 0.336 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -80.69 -46.46 15.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -159.19 165.77 32.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -116.2 117.49 30.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.403 ' HE2' ' CE1' ' A' ' 91' ' ' TYR . 2.1 tppt? -91.38 118.1 30.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.839 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.634 ' O ' HG22 ' A' ' 66' ' ' VAL . 14.6 tp -108.09 122.81 47.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 1.9 m-85 -103.79 156.28 17.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.477 ' CG ' HD13 ' A' ' 75' ' ' ILE . 18.7 p90 -158.61 133.55 8.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -152.43 160.62 43.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.826 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -89.84 133.53 34.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -57.25 98.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 116.7 39.26 0.85 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.478 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.51 -29.21 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 111.14 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.0 t0 65.43 31.82 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -151.0 115.29 5.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -97.22 152.11 19.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.596 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 68.2 mt-30 -116.1 -179.49 3.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -150.06 138.04 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 53' ' ' LEU . 5.0 m -133.8 148.8 30.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -84.66 123.55 30.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.406 HG11 ' HB2' ' A' ' 73' ' ' TYR . 7.4 t -130.09 129.68 65.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.8 m -97.02 -23.26 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -101.94 165.76 11.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -82.69 12.75 4.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.1 p -150.64 118.04 6.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.406 ' HB2' HG11 ' A' ' 68' ' ' VAL . 66.3 t80 -123.91 157.84 33.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.9 m -127.2 121.72 32.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.477 HD13 ' CG ' ' A' ' 55' ' ' TYR . 80.8 mt -99.33 122.39 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -108.39 158.21 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.47 51.05 2.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.0 mt -126.89 167.55 15.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -83.22 160.33 21.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -83.04 136.23 34.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.6 t80 58.69 43.36 18.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.2 m -122.57 136.91 55.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -77.14 149.29 35.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -148.76 127.45 12.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -83.0 138.67 33.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -135.64 138.16 42.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -146.31 131.65 18.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.631 HG21 ' CG ' ' A' ' 38' ' ' TRP . 25.6 t -96.67 142.12 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 84.8 t -133.24 131.3 58.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.433 ' HB1' HD12 ' A' ' 48' ' ' ILE . . . -87.45 131.79 34.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 19.6 m-85 -122.04 117.66 26.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.2 p-10 -134.88 167.4 20.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -39.58 -39.92 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.408 ' CE1' ' HD2' ' A' ' 93' ' ' LYS . 95.6 m-70 -60.83 -67.43 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 166.23 172.85 34.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.571 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.3 Cg_endo -69.75 97.69 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.626 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -65.02 -169.33 2.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.56 HG21 ' HD3' ' A' ' 20' ' ' PRO . 10.9 m -47.11 175.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.4 t -127.38 135.86 51.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.55 157.94 12.56 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.569 0.699 . . . . 0.0 111.133 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 132.86 24.31 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.357 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -38.8 133.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.455 HG21 ' CD2' ' A' ' 24' ' ' LEU . 57.7 t -118.87 83.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -78.34 124.75 28.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.9 p -134.15 144.31 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 106' ' ' ARG . 13.4 ttm105 -93.11 130.79 38.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.602 HG23 HD11 ' A' ' 34' ' ' ILE . 14.3 p -75.36 174.0 10.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 45.2 mt -78.6 150.97 32.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.831 -179.922 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.469 HD23 ' HA2' ' A' ' 97' ' ' GLY . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.419 ' HD3' ' ND2' ' A' ' 92' ' ' ASN . 53.8 Cg_endo -69.69 -172.61 0.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.72 2.28 . . . . 0.0 112.382 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -124.22 175.98 16.94 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.569 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.8 Cg_endo -69.8 121.88 8.56 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.678 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -54.09 118.5 15.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 0.0 111.058 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -175.16 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.695 2.264 . . . . 0.0 112.303 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.458 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 28.7 m120 39.4 49.98 1.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.4 tp -83.37 101.29 11.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.76 148.23 36.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.35 127.05 12.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -143.65 151.86 40.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.4 ' CB ' ' HA ' ' A' ' 107' ' ' THR . . . -86.28 105.83 16.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.96 -9.11 58.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.077 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -169.9 161.13 6.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.673 0.749 . . . . 0.0 110.859 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -2.37 10.06 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.0 p -130.36 -4.05 4.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.1 p -135.62 170.59 15.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.653 HD11 HG23 ' A' ' 107' ' ' THR . 37.1 mt -154.07 119.93 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.5 m -90.44 135.89 33.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.8 t -130.75 121.49 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.471 HG22 ' HB2' ' A' ' 72' ' ' SER . 22.3 p -119.23 137.59 53.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.483 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 49.7 p90 -141.6 172.14 13.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.678 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 65.3 mm-40 -119.01 165.01 14.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.4 m -85.88 131.61 46.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.566 0.698 . . . . 0.0 111.174 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 115.47 4.11 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.674 2.249 . . . . 0.0 112.379 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.3 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.116 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.0 mm . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.742 0.306 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -102.08 -46.08 4.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -155.01 154.02 31.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -107.03 121.16 43.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.1 tptt -90.8 110.54 21.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.7 tp -104.08 120.83 41.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.532 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 6.0 m-85 -100.41 157.13 16.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -162.06 134.48 5.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -156.61 162.35 39.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 58' ' ' LYS . 26.0 tt0 -91.65 100.63 13.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 57' ' ' GLU . 14.3 tptt -33.68 101.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 128.12 -0.09 6.52 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.72 -27.87 11.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.811 0.339 . . . . 0.0 111.194 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.13 25.08 15.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -121.04 71.61 0.95 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -61.87 145.67 52.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.532 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 45.5 mt-30 -126.44 179.47 5.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 p30 -147.62 139.78 24.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 66' ' ' VAL . 5.4 m -133.94 131.07 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.49 121.45 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 69' ' ' SER . 72.2 t -119.47 155.37 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.451 ' N ' HG12 ' A' ' 68' ' ' VAL . 47.5 t -116.3 -35.81 4.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -89.3 165.35 14.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.483 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 20.0 m80 -69.32 -24.2 63.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.471 ' HB2' HG22 ' A' ' 37' ' ' THR . 28.9 p -124.88 141.0 52.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -138.03 142.7 40.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.7 m -112.35 125.39 54.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 69.0 mt -99.53 134.33 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.65 158.42 24.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.09 56.83 1.99 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.0 mt -128.86 161.88 28.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.871 0.367 . . . . 0.0 110.918 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -73.8 174.5 8.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -104.88 137.77 42.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.581 ' CD1' ' HB2' ' A' ' 109' ' ' SER . 5.2 t80 59.38 44.3 15.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.7 m -130.4 142.63 50.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.129 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -75.53 151.87 37.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -148.45 126.26 11.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 t -86.38 146.29 26.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -143.36 137.41 28.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.413 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 25.9 ptt180 -148.72 133.3 17.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 80.0 t -103.06 145.03 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 41.3 t -136.88 137.12 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.31 132.84 33.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.54 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 16.4 m-85 -122.79 114.24 20.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 94' ' ' HIS . 43.8 p-10 -126.01 155.1 41.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 92' ' ' ASN . 24.2 pttt -35.33 -34.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 92' ' ' ASN . 13.3 m-70 -66.75 -56.61 9.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 158.14 166.04 16.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.54 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.4 Cg_endo -69.81 115.35 4.06 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.301 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.469 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -74.68 -140.35 0.66 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.569 HG21 ' HD3' ' A' ' 20' ' ' PRO . 18.0 m -69.68 -177.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 111.178 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.4 t -135.45 124.94 24.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.1 p -50.54 156.07 1.65 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.089 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 131.16 20.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.363 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -39.08 130.57 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.1 t -116.44 85.17 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.88 132.43 40.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.87 138.81 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -92.82 131.92 37.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.653 HG23 HD11 ' A' ' 34' ' ' ILE . 11.5 p -75.83 172.57 12.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.6 mt -77.57 146.01 36.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.581 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 4.3 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.449 HD23 ' HA2' ' A' ' 97' ' ' GLY . 1.3 mp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.647 0.737 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.489 ' HB3' ' CD1' ' A' ' 48' ' ' ILE . 53.8 Cg_endo -69.76 -176.27 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.71 177.94 16.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 128.71 16.46 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.387 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -58.34 110.22 2.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.733 . . . . 0.0 111.094 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -178.39 2.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.5 m120 43.41 43.95 4.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.529 ' CD2' HG21 ' A' ' 103' ' ' VAL . 27.7 tp -77.12 105.67 8.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -133.78 130.25 37.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.89 140.77 52.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -143.39 137.07 28.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.01 105.9 11.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.088 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.28 -27.08 64.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 m -147.69 160.18 39.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.658 0.742 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -5.05 15.28 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.659 2.239 . . . . 0.0 112.378 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.3 p -124.34 -6.91 7.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.8 m -143.57 153.99 43.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.571 HD11 HG23 ' A' ' 107' ' ' THR . 96.2 mt -130.4 151.38 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.6 m -117.73 99.34 6.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -89.86 131.32 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.62 155.85 40.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.485 ' HB3' HD12 ' A' ' 24' ' ' LEU . 48.6 p90 -162.85 165.2 25.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.417 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 24.8 mm-40 -113.49 165.13 12.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.5 m -85.89 132.67 43.28 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.579 0.704 . . . . 0.0 111.146 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 120.17 7.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.751 HD13 HD21 ' A' ' 92' ' ' ASN . 26.1 mm . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.814 0.34 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -73.34 -59.67 2.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -136.82 170.24 16.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -126.19 132.78 51.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.479 ' HD2' ' CE1' ' A' ' 91' ' ' TYR . 15.8 tttt -108.96 127.04 53.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.7 tp -118.62 134.58 55.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.957 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.498 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 19.2 m-85 -111.23 161.45 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.407 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 26.5 p90 -159.43 126.69 4.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -150.45 160.68 43.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -87.87 133.31 33.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -55.65 99.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.66 30.08 1.92 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.496 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.14 -31.23 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 111.107 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 63.23 25.31 14.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -149.99 105.02 3.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -104.65 157.53 17.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.498 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 47.8 mt-30 -112.27 -177.46 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.35 130.02 27.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 66' ' ' VAL . 31.0 m -121.5 126.98 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -71.93 119.36 16.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.1 t -126.03 151.85 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.7 p -111.28 -36.42 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.6 m -82.21 173.44 12.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -85.18 -26.35 26.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.6 p -118.12 117.4 29.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -111.31 155.83 22.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 89.6 m -123.54 109.43 13.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.2 mt -89.61 127.47 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -117.46 150.66 38.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.58 52.51 1.42 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.5 mt -126.87 161.11 29.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -73.05 172.99 10.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -98.47 137.56 36.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.937 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.2 t80 58.54 36.56 25.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.969 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.1 m -118.04 137.91 52.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.117 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -82.42 150.58 27.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -149.07 132.68 16.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.9 t -83.17 138.21 33.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.835 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -134.14 137.17 44.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -145.13 143.73 30.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 71.4 t -111.34 133.68 56.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 88.9 t -121.8 140.8 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -96.82 138.24 34.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.552 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 27.3 m-85 -129.57 122.05 28.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.751 HD21 HD13 ' A' ' 48' ' ' ILE . 27.1 m-20 -130.45 171.95 12.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.54 -41.59 41.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -62.38 -60.01 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 165.52 170.67 30.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.552 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.6 Cg_endo -69.73 113.44 3.37 Favored 'Trans proline' 0 C--O 1.231 0.125 0 C-N-CA 122.71 2.273 . . . . 0.0 112.36 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.449 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -72.54 -139.87 0.33 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.6 m -79.04 179.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 111.123 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.2 t -128.7 136.35 50.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.2 p -60.98 158.71 32.3 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.622 0.725 . . . . 0.0 111.131 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 131.06 20.43 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -38.94 132.37 1.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.529 HG21 ' CD2' ' A' ' 24' ' ' LEU . 71.7 t -118.01 79.75 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.59 135.83 47.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.5 p -144.02 146.13 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -102.37 127.04 49.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.571 HG23 HD11 ' A' ' 34' ' ' ILE . 18.8 p -69.49 178.48 2.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.178 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 25.1 mt -78.6 155.17 29.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.4 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.672 HD23 ' HA2' ' A' ' 97' ' ' GLY . 2.5 mp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.613 0.721 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 173.86 10.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.246 . . . . 0.0 112.328 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -107.88 172.11 16.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.535 ' HD3' HG21 ' A' ' 98' ' ' VAL . 54.1 Cg_endo -69.76 122.89 9.56 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.77 107.04 0.72 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 111.047 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -176.02 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.734 2.289 . . . . 0.0 112.346 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.459 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 26.3 m120 39.35 44.5 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 38' ' ' TRP . 19.7 tp -77.28 103.8 7.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -132.35 138.17 47.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.528 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -132.36 133.58 44.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -132.52 132.57 42.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.76 113.98 13.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.71 -27.82 36.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.5 m -146.31 160.61 41.83 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.644 0.735 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -8.6 24.02 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.733 2.289 . . . . 0.0 112.331 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.408 HG22 ' NZ ' ' A' ' 80' ' ' LYS . 20.0 p -125.51 0.94 7.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 m -147.27 149.1 32.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.552 HD11 HG23 ' A' ' 107' ' ' THR . 81.9 mt -130.22 147.56 33.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.3 m -116.53 96.8 5.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.528 HG13 ' HB2' ' A' ' 26' ' ' ALA . 21.0 t -84.13 137.9 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 p -128.0 155.72 43.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.474 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 48.9 p90 -162.04 160.8 27.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.459 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 20.5 mm-40 -107.72 165.12 11.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.421 HG23 ' HD2' ' A' ' 41' ' ' PRO . 76.4 m -85.98 133.05 41.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.63 0.729 . . . . 0.0 111.135 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.421 ' HD2' HG23 ' A' ' 40' ' ' THR . 54.2 Cg_endo -69.73 123.53 10.2 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.713 2.275 . . . . 0.0 112.382 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.655 HD13 ' OD1' ' A' ' 92' ' ' ASN . 17.0 mm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.751 0.31 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -60.42 -38.56 84.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -164.82 153.56 12.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -99.3 118.21 35.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.49 129.29 37.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.937 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.506 ' O ' HG22 ' A' ' 66' ' ' VAL . 21.5 tp -122.7 119.39 30.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.465 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 1.9 m-85 -100.46 157.86 16.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -161.04 128.67 4.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -149.2 161.82 41.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -90.27 129.09 36.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -53.44 100.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.24 34.6 1.44 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 m -121.64 -28.15 4.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.348 . . . . 0.0 111.188 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 64.01 29.08 14.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -147.18 106.66 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -88.94 146.16 25.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.465 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 68.3 mt-30 -113.67 179.2 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.954 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -149.13 133.26 17.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 53' ' ' LEU . 17.5 m -131.56 136.79 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -70.48 127.33 32.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.1 t -131.24 126.66 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 m -105.47 53.49 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -173.74 179.19 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -90.76 -24.07 20.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.7 p -128.38 118.44 23.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -117.28 163.75 15.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.9 m -129.13 117.78 21.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 97.7 mt -99.36 122.33 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -111.11 158.68 18.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.64 48.42 2.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.444 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 47.2 mt -124.43 170.11 11.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.909 0.385 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -82.43 175.43 10.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.408 ' NZ ' HG22 ' A' ' 32' ' ' THR . 0.4 OUTLIER -102.9 142.4 34.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.423 ' CD1' ' HB3' ' A' ' 109' ' ' SER . 3.3 t80 58.91 28.29 17.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.6 m -113.43 137.5 51.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.101 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -80.02 149.29 30.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -145.13 133.74 22.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 t -90.11 138.5 31.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -134.28 135.87 43.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -143.53 137.75 28.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.1 t -111.0 128.6 67.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 85.0 t -121.6 133.12 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.591 ' HB1' HD12 ' A' ' 48' ' ' ILE . . . -87.29 136.82 32.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.529 ' CE1' ' HB3' ' A' ' 96' ' ' PRO . 53.1 m-85 -123.77 108.63 12.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.655 ' OD1' HD13 ' A' ' 48' ' ' ILE . 34.1 m-20 -103.68 158.37 16.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -42.78 -29.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -76.49 -63.56 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 178.12 171.86 41.93 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.529 ' HB3' ' CE1' ' A' ' 91' ' ' TYR . 53.9 Cg_endo -69.73 113.67 3.45 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.672 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -65.52 -115.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.48 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.535 HG21 ' HD3' ' A' ' 20' ' ' PRO . 18.5 m -98.59 -175.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.168 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.8 t -132.84 123.11 25.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.2 156.2 7.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.592 0.711 . . . . 0.0 111.089 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 134.1 27.17 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.367 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -42.61 131.72 3.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.5 t -115.62 82.56 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.11 122.15 23.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.0 p -131.47 145.09 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.5 ttm-85 -102.1 131.75 48.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.552 HG23 HD11 ' A' ' 34' ' ' ILE . 10.6 p -72.7 179.98 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.79 156.82 27.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.423 ' HB3' ' CD1' ' A' ' 81' ' ' TYR . 60.5 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.537 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 4.4 mm? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.565 0.697 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.526 ' HD2' HD12 ' A' ' 17' ' ' LEU . 53.1 Cg_endo -69.81 168.79 20.61 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.293 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.86 171.35 34.33 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 141.57 45.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.648 2.232 . . . . 0.0 112.3 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.54 111.74 8.3 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.577 0.703 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 23' ' ' ASN . 53.5 Cg_endo -69.81 -177.17 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 22' ' ' PRO . 1.0 OUTLIER 35.31 52.54 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.403 HD12 ' HB3' ' A' ' 38' ' ' TRP . 58.5 tp -84.51 105.18 15.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -116.61 158.72 23.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.463 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -159.0 127.03 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -140.4 149.84 43.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.944 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 107' ' ' THR . . . -84.83 108.45 17.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.123 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.61 -24.67 56.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 m -154.39 160.03 31.34 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.67 0.748 . . . . 0.0 110.839 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 1.51 4.34 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.739 2.293 . . . . 0.0 112.354 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.9 p -131.36 1.28 4.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 p -145.34 172.67 12.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.627 HD11 HG23 ' A' ' 107' ' ' THR . 90.5 mt -151.88 127.72 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.4 m -98.34 133.0 43.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.17 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.463 HG13 ' HB2' ' A' ' 26' ' ' ALA . 11.4 t -127.39 128.2 69.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.3 p -124.39 131.42 53.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.461 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 48.2 p90 -134.45 168.59 18.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -114.43 164.79 13.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.499 HG23 ' HD2' ' A' ' 41' ' ' PRO . 55.1 m -86.29 134.85 37.59 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.575 0.702 . . . . 0.0 111.127 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.499 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.9 Cg_endo -69.73 111.72 2.88 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.709 2.272 . . . . 0.0 112.345 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.7 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.099 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.3 mm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.745 0.307 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -88.95 -56.73 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -148.58 166.76 27.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -114.14 125.73 54.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.418 ' CG ' ' CE1' ' A' ' 54' ' ' TYR . 1.9 tppp? -99.91 131.49 45.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.637 ' O ' HG22 ' A' ' 66' ' ' VAL . 28.8 tp -126.92 116.84 21.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.442 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 2.8 m-85 -99.16 157.6 16.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.512 ' HE1' HG13 ' A' ' 66' ' ' VAL . 10.7 p90 -155.57 137.49 14.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -155.67 161.48 40.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -86.93 129.86 34.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -53.72 91.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.88 40.06 0.5 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.87 -35.04 2.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 111.146 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.6 t70 71.86 25.28 3.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.34 116.31 4.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -110.56 158.91 18.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -114.05 -177.48 3.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.34 129.77 27.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 53' ' ' LEU . 8.8 m -121.59 125.4 73.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.49 118.09 14.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 69' ' ' SER . 88.4 t -122.99 156.14 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.473 ' N ' HG12 ' A' ' 68' ' ' VAL . 87.6 p -113.53 -37.21 4.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.6 m -88.54 161.33 17.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.461 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 72.0 m80 -68.05 -33.25 74.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 97.2 p -112.0 126.84 55.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -125.2 162.93 23.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.971 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 62.6 m -125.98 120.12 29.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.1 mt -102.36 111.2 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -104.29 156.37 17.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.25 44.97 2.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.52 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.1 mt -120.77 170.22 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.896 0.379 . . . . 0.0 110.92 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.5 mtmm -80.96 168.44 18.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -92.12 147.27 23.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.3 t80 43.46 52.45 5.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.037 0.446 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.1 m -133.52 133.0 41.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.164 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -69.23 151.56 46.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -152.24 128.41 10.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -83.15 152.16 25.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -146.36 136.04 23.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.442 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 28.6 ptt180 -147.17 133.6 19.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.0 t -107.17 143.65 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.0 t -132.6 137.6 53.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.57 125.39 35.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 24.3 m-85 -112.91 120.84 42.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -121.34 167.41 12.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -44.12 -33.41 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -73.15 -57.76 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 169.56 -177.45 43.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.556 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.8 Cg_endo -69.76 128.64 16.32 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.369 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.441 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -86.73 -154.28 25.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.443 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.5 m -55.57 -175.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.7 t -143.43 106.94 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.2 p -40.88 154.66 0.21 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.565 0.697 . . . . 0.0 111.165 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 102' ' ' ASP . 53.1 Cg_endo -69.8 130.51 19.41 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 101' ' ' PRO . 1.2 m-20 -34.63 138.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 103' ' ' VAL . 98.5 t -125.06 77.98 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.4 136.25 54.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.1 p -144.48 137.82 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.163 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -92.28 129.92 38.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.627 HG23 HD11 ' A' ' 34' ' ' ILE . 13.5 p -74.1 -177.2 2.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.3 mt -89.06 164.36 15.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.91 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.451 HD23 ' HA2' ' A' ' 97' ' ' GLY . 1.1 mp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.553 0.692 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 164.22 35.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.09 176.75 28.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.602 ' HD3' HG21 ' A' ' 98' ' ' VAL . 54.2 Cg_endo -69.73 121.82 8.51 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.648 2.232 . . . . 0.0 112.399 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -49.99 111.4 2.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.552 0.692 . . . . 0.0 111.099 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 178.34 4.71 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.414 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 25.9 m120 47.05 40.26 9.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.487 HD22 ' HB ' ' A' ' 100' ' ' THR . 52.9 tp -75.44 104.56 6.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.1 mmm-85 -116.34 159.24 22.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.401 ' HB3' HG11 ' A' ' 103' ' ' VAL . . . -155.34 126.76 7.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.559 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 41.5 p90 -143.54 138.57 29.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.53 105.55 10.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.46 -38.85 85.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -140.99 163.5 42.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.668 0.747 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.93 3.99 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.716 2.278 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.0 p -127.72 -18.94 4.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 p -128.34 168.19 15.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.462 HD11 HG23 ' A' ' 107' ' ' THR . 89.4 mt -143.17 137.35 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.559 ' HB ' ' CE1' ' A' ' 27' ' ' TYR . 87.9 m -103.38 137.19 41.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.3 t -133.81 127.19 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.8 p -124.68 131.54 53.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.545 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 45.5 p90 -134.52 167.73 20.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.44 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 50.8 mm-40 -118.93 165.25 14.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.433 HG23 ' HD2' ' A' ' 41' ' ' PRO . 96.5 m -85.73 133.03 42.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 0.0 111.17 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.3 Cg_endo -69.76 112.96 3.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.29 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.915 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.4 mm . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.792 0.33 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -109.72 -53.75 2.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -143.86 151.06 39.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -110.96 116.79 31.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -90.97 118.54 30.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.9 tp -114.48 112.03 22.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -86.59 148.44 25.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.483 ' CG ' HD13 ' A' ' 75' ' ' ILE . 12.0 p90 -149.97 125.85 10.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.945 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -154.36 162.36 41.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 30.7 tt0 -86.13 133.57 33.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.97 99.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.54 42.76 0.94 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.429 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -128.72 -39.39 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.323 . . . . 0.0 111.163 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.3 t70 68.57 27.87 6.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -133.13 62.31 1.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -57.17 142.33 43.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -114.09 -177.64 3.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 1.3 p-10 -149.13 135.46 19.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.465 ' O ' HG23 ' A' ' 66' ' ' VAL . 27.2 m -133.75 121.91 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -68.94 109.06 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 82.6 t -109.31 146.2 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.7 m -102.99 -35.86 8.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.6 p -89.31 155.95 19.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.545 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 31.4 m80 -64.02 -26.4 68.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.5 m -119.67 133.99 55.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.444 ' CG ' ' N ' ' A' ' 74' ' ' THR . 71.7 t80 -126.3 170.18 12.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' A' ' 73' ' ' TYR . 37.6 m -135.03 110.34 9.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.11 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.483 HD13 ' CG ' ' A' ' 55' ' ' TYR . 95.5 mt -93.32 126.85 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -119.57 169.48 10.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.94 56.55 3.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.3 mt -127.2 169.89 12.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -77.1 154.85 32.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -83.33 148.31 27.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.8 t80 47.15 42.72 13.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 83' ' ' GLU . 36.3 m -123.85 154.61 39.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.14 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.423 ' N ' HG22 ' A' ' 82' ' ' THR . 14.4 tt0 -94.25 149.92 20.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 67.1 m-85 -145.69 132.06 19.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.76 152.11 24.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.477 ' HE1' HD12 ' A' ' 75' ' ' ILE . 85.6 m-85 -147.2 134.28 20.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.868 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -150.95 126.23 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 84.4 t -96.01 148.22 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 70.6 t -136.43 140.46 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.98 129.53 34.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.542 ' CE1' ' HB3' ' A' ' 96' ' ' PRO . 33.7 m-85 -127.46 106.88 9.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -128.6 172.31 11.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 94' ' ' HIS . 16.9 ptpt -41.7 -43.18 2.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.472 ' N ' ' HG3' ' A' ' 93' ' ' LYS . 56.7 m-70 -58.98 -67.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 163.46 171.7 30.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.542 ' HB3' ' CE1' ' A' ' 91' ' ' TYR . 53.6 Cg_endo -69.76 110.41 2.55 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.343 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.451 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -73.76 -123.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.602 HG21 ' HD3' ' A' ' 20' ' ' PRO . 13.3 m -89.05 168.75 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 111.135 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.2 t -122.76 116.65 24.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.487 ' HB ' HD22 ' A' ' 24' ' ' LEU . 16.4 p -43.12 155.43 0.28 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.54 0.686 . . . . 0.0 111.16 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 130.6 19.59 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -41.89 134.91 2.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.716 ' O ' HG12 ' A' ' 103' ' ' VAL . 43.8 t -119.52 74.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.32 127.67 32.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.9 p -138.28 141.73 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 35.7 ttp180 -95.7 130.05 42.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.462 HG23 HD11 ' A' ' 34' ' ' ILE . 20.7 p -69.11 178.06 2.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 37.9 mt -79.76 153.06 29.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.932 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.645 0.736 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HB3' ' ND2' ' A' ' 92' ' ' ASN . 54.1 Cg_endo -69.78 158.87 55.46 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.661 2.241 . . . . 0.0 112.352 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.53 179.51 31.88 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.574 ' HD3' HG21 ' A' ' 98' ' ' VAL . 54.4 Cg_endo -69.73 136.05 32.08 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -65.16 111.99 7.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.583 0.706 . . . . 0.0 111.07 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -179.46 2.94 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.43 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 25.9 m120 45.43 43.32 8.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 38' ' ' TRP . 53.9 tp -80.38 100.52 8.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -109.2 150.66 27.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -147.39 129.57 15.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.076 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -150.69 138.88 20.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.33 102.89 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.068 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.79 -27.64 66.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 p -149.31 158.28 38.48 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.685 0.755 . . . . 0.0 110.829 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 1.03 4.8 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.36 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.4 p -130.04 -7.0 4.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.198 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.14 176.96 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.539 HG21 ' CE2' ' A' ' 86' ' ' PHE . 58.3 mt -155.37 122.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.2 m -98.91 132.43 44.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.3 t -125.42 131.61 72.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.2 p -124.65 146.19 49.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.558 ' CE3' HG21 ' A' ' 88' ' ' VAL . 31.4 p90 -150.67 174.2 13.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.559 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 10.0 mm-40 -123.84 165.52 17.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.534 HG23 ' HD2' ' A' ' 41' ' ' PRO . 55.5 m -85.47 135.77 38.21 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.58 0.705 . . . . 0.0 111.15 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.534 ' HD2' HG23 ' A' ' 40' ' ' THR . 54.4 Cg_endo -69.77 120.41 7.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.381 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.551 HG21 ' CE1' ' A' ' 51' ' ' TYR . 46.7 mm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.764 0.316 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -77.35 -44.75 28.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -159.82 164.49 33.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.551 ' CE1' HG21 ' A' ' 48' ' ' ILE . 63.7 m-85 -118.65 123.48 45.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -103.8 122.31 44.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.574 ' O ' HG22 ' A' ' 66' ' ' VAL . 19.3 tp -110.59 130.12 55.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 15.1 m-85 -102.39 158.3 16.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -162.05 128.88 3.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -159.06 161.6 36.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.588 ' HG3' ' CE2' ' A' ' 84' ' ' TYR . 30.9 mt-10 -81.63 144.46 31.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -67.69 107.46 2.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.89 44.49 2.07 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -127.74 -28.35 2.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 0.0 111.104 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 63.34 25.3 14.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -134.95 83.33 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -77.65 150.88 34.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.595 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 41.2 mt-30 -126.32 176.78 6.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -142.58 144.58 32.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 53' ' ' LEU . 34.7 m -133.64 145.5 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.35 120.77 22.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.0 t -140.13 139.14 37.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.24 47.58 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.9 p -154.46 168.24 27.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -91.62 22.64 3.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.6 p -169.26 126.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -138.96 150.13 45.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.1 m -121.89 126.98 49.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.5 mt -106.05 114.09 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -104.35 157.94 16.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.12 50.28 2.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.42 HD12 HG13 ' A' ' 34' ' ' ILE . 39.1 mt -122.76 166.4 15.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -76.65 168.74 19.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -95.19 151.58 19.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.6 t80 45.37 45.53 10.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.5 m -132.69 139.61 47.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -78.8 155.27 29.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.588 ' CE2' ' HG3' ' A' ' 57' ' ' GLU . 41.6 m-85 -150.43 130.22 13.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.2 t -83.58 153.22 24.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.539 ' CE2' HG21 ' A' ' 34' ' ' ILE . 85.9 m-85 -151.27 131.32 13.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.443 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 13.1 ptt180 -149.16 135.11 18.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.558 HG21 ' CE3' ' A' ' 38' ' ' TRP . 95.0 t -106.22 147.0 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.6 t -123.95 135.36 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.08 145.26 26.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.056 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.454 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 24.0 m-85 -129.85 142.56 50.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 18' ' ' PRO . 20.2 m-20 -148.02 155.6 41.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -38.57 -37.21 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -69.16 -62.85 1.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.837 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 174.33 169.3 36.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.454 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.5 Cg_endo -69.72 112.49 3.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 0.0 112.355 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -73.3 -157.25 4.18 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.574 HG21 ' HD3' ' A' ' 20' ' ' PRO . 21.8 m -57.99 -175.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.133 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.7 t -138.67 146.2 41.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 49.2 p -64.75 152.7 89.63 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.525 0.678 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 102' ' ' ASP . 53.8 Cg_endo -69.75 131.52 21.41 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.382 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 101' ' ' PRO . 13.0 m-20 -34.94 134.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.557 ' O ' HG12 ' A' ' 103' ' ' VAL . 57.2 t -120.31 80.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.19 137.68 43.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.8 p -145.7 144.94 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -93.94 135.19 35.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.512 HG23 HD11 ' A' ' 34' ' ' ILE . 3.3 p -78.36 163.3 25.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.0 mt -66.69 136.74 55.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.3 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.929 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.797 HD23 ' HA2' ' A' ' 97' ' ' GLY . 2.4 mp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 121.639 0.733 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 157.8 59.22 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.87 177.5 31.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 136.46 33.06 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.676 2.251 . . . . 0.0 112.34 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -61.16 118.61 37.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.559 0.695 . . . . 0.0 111.111 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 23' ' ' ASN . 53.5 Cg_endo -69.78 -175.32 1.12 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.691 2.26 . . . . 0.0 112.372 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 22' ' ' PRO . 1.0 OUTLIER 34.27 46.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.0 tp -79.47 101.93 8.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -112.59 155.44 24.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.72 128.84 11.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -147.41 148.44 31.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.94 112.86 23.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.086 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.32 -40.27 58.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -135.92 161.56 61.96 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.624 0.726 . . . . 0.0 110.877 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 1.84 4.08 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.644 2.229 . . . . 0.0 112.319 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.0 p -132.86 0.83 3.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.422 ' C ' HG13 ' A' ' 34' ' ' ILE . 3.4 p -142.79 173.31 11.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.753 HD11 HG23 ' A' ' 107' ' ' THR . 97.2 mt -151.92 127.45 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.8 m -99.99 129.85 46.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.3 t -121.43 133.25 68.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 62.2 p -128.21 130.52 48.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 49.0 p90 -133.58 173.44 11.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.435 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 35.1 mm-40 -121.95 165.0 16.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.0 m -85.98 131.95 45.27 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.571 0.7 . . . . 0.0 111.166 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 109.16 2.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.304 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.908 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.8 mm . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.778 0.323 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -71.63 -57.81 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -151.53 150.47 30.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -93.13 118.71 31.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.559 ' HG3' ' CE1' ' A' ' 54' ' ' TYR . 10.0 tptm -92.83 102.54 14.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.6 tp -99.25 133.12 44.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 52' ' ' LYS . 2.0 m-85 -113.01 161.82 16.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -162.13 142.5 10.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.934 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -158.74 162.02 37.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.552 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 63.9 tt0 -95.95 105.6 17.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 57' ' ' GLU . 1.3 tppt? -29.56 101.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.14 -38.16 1.94 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -30.75 40.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.728 0.299 . . . . 0.0 111.133 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 67.81 24.95 8.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -156.02 120.7 4.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.9 pm0 -101.21 153.58 19.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -109.78 -174.3 2.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -141.36 133.1 27.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 66' ' ' VAL . 13.2 m -130.54 129.34 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -69.16 129.95 41.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.3 t -143.3 137.59 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.6 m -123.19 46.88 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.7 m -159.09 162.82 36.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -89.77 31.12 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.2 p -171.84 126.61 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -139.86 159.98 40.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.936 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 56.2 m -131.08 119.78 22.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 85.7 mt -102.38 105.6 18.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -98.02 163.58 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.8 50.5 3.5 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.504 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 49.5 mt -122.49 168.77 11.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.882 0.372 . . . . 0.0 110.958 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -75.77 158.47 32.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -86.35 139.72 30.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 21.0 t80 53.39 51.4 15.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.1 m -135.21 141.55 45.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.107 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.513 ' HG2' ' HB1' ' A' ' 104' ' ' ALA . 4.0 tt0 -81.2 151.51 28.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.552 ' CE2' ' HB2' ' A' ' 57' ' ' GLU . 39.1 m-85 -145.9 129.33 16.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.943 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 t -83.6 142.44 30.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -137.77 138.12 38.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -150.18 133.45 16.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 96.9 t -102.74 137.5 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 54.8 t -124.48 131.87 72.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -88.92 119.76 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.076 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.579 ' CE1' ' HB3' ' A' ' 96' ' ' PRO . 31.6 m-85 -112.41 114.23 26.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -124.78 170.15 11.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 94' ' ' HIS . 19.6 ptmt -43.2 -48.25 6.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.409 ' N ' ' HG3' ' A' ' 93' ' ' LYS . 94.8 m-70 -56.16 -57.81 10.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 156.71 173.1 24.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.448 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.579 ' HB3' ' CE1' ' A' ' 91' ' ' TYR . 53.5 Cg_endo -69.82 107.82 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 0.0 112.296 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.797 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -64.43 -113.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.5 m -104.46 179.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 111.086 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.3 t -126.92 129.3 47.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.9 p -55.63 157.8 6.98 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.544 0.688 . . . . 0.0 111.164 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 102' ' ' ASP . 54.1 Cg_endo -69.77 130.98 20.27 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.637 2.225 . . . . 0.0 112.378 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 101' ' ' PRO . 3.3 m-20 -37.26 129.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.683 ' O ' HG12 ' A' ' 103' ' ' VAL . 55.7 t -118.42 73.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.513 ' HB1' ' HG2' ' A' ' 83' ' ' GLU . . . -64.42 140.09 58.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.6 p -144.48 139.11 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 47.2 ttm-85 -91.34 133.69 35.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.753 HG23 HD11 ' A' ' 34' ' ' ILE . 1.6 p -79.56 164.78 23.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 64.7 mt -69.48 141.06 54.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.909 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.531 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 4.6 mm? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.617 0.723 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.592 ' HG2' ' HB3' ' A' ' 90' ' ' ALA . 53.8 Cg_endo -69.76 174.98 8.72 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.714 2.276 . . . . 0.0 112.327 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.01 170.56 20.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.947 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.6 Cg_endo -69.75 113.03 3.24 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.683 2.256 . . . . 0.0 112.322 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -42.87 111.91 1.08 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.527 0.679 . . . . 0.0 111.059 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' ASN . 54.1 Cg_endo -69.78 -174.2 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.704 2.269 . . . . 0.0 112.299 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.472 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER 34.4 51.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.441 HD22 ' HB ' ' A' ' 100' ' ' THR . 19.6 tp -84.76 104.19 14.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.2 mmm-85 -114.18 168.03 10.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -165.51 127.51 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.066 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -141.66 143.91 33.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.84 106.49 15.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.117 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.25 -36.91 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -143.17 162.14 44.49 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.65 0.738 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 1.67 4.22 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.737 2.291 . . . . 0.0 112.341 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.8 p -125.63 -20.72 4.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 p -126.95 171.44 11.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.809 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.499 HD11 HG23 ' A' ' 107' ' ' THR . 93.9 mt -147.97 126.36 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.9 m -94.26 126.57 39.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.1 t -124.09 135.53 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.432 HG22 ' CB ' ' A' ' 72' ' ' SER . 37.5 p -131.08 140.03 49.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.09 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 49.3 p90 -142.31 165.28 27.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.478 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 25.2 mm-40 -109.35 163.65 13.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.8 m -86.75 132.07 43.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 111.107 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 115.46 4.11 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.653 2.235 . . . . 0.0 112.356 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 179.929 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.8 mm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.802 0.334 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.44 ' NE2' ' HB3' ' A' ' 93' ' ' LYS . 55.6 mt-30 -80.18 -45.81 17.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -156.76 140.95 16.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -93.61 130.0 39.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HA ' ' CE ' ' A' ' 52' ' ' LYS . 1.1 tpmt? -100.62 122.46 43.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.3 tp -116.37 127.3 54.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.472 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 1.1 m-85 -108.33 161.25 15.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.498 ' HE1' HG13 ' A' ' 66' ' ' VAL . 33.1 p90 -162.1 139.29 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.481 ' HB3' ' CB ' ' A' ' 63' ' ' GLU . 2.2 ptt? -159.03 161.87 36.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.443 ' HG3' ' CG2' ' A' ' 82' ' ' THR . 20.7 tt0 -85.35 132.14 34.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -55.6 97.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.67 42.3 0.74 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -133.16 -34.28 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.329 . . . . 0.0 111.124 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.6 t0 68.12 25.02 7.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -149.66 107.34 3.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.481 ' CB ' ' HB3' ' A' ' 56' ' ' MET . 2.9 pt-20 -106.61 158.63 16.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.448 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 61.5 mt-30 -106.42 172.92 6.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -128.8 127.92 42.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.498 HG13 ' HE1' ' A' ' 55' ' ' TYR . 27.2 m -126.52 129.54 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.69 117.64 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.4 t -118.81 132.3 69.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.0 m -116.24 51.36 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.0 m -166.45 -178.6 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -85.61 -33.73 21.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.432 ' CB ' HG22 ' A' ' 37' ' ' THR . 94.7 p -123.2 142.53 50.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.821 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -135.93 159.68 40.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 65.9 m -125.13 113.7 18.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 93.7 mt -96.91 107.38 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -101.5 173.02 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.1 47.73 6.88 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.465 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.9 mt -125.08 159.48 31.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.923 0.392 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -69.13 171.03 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.22 147.02 27.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.4 t80 56.05 41.64 29.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.443 ' CG2' ' HG3' ' A' ' 57' ' ' GLU . 36.7 m -131.33 136.84 48.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -79.7 153.56 29.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.422 ' CE2' HG22 ' A' ' 82' ' ' THR . 81.8 m-85 -152.08 133.29 14.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.964 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t -83.9 152.57 24.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -145.42 139.21 26.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.401 ' CD ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -150.99 141.3 22.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 85.7 t -110.8 135.2 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.401 HG23 ' CD ' ' A' ' 87' ' ' ARG . 77.2 t -127.23 135.24 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.592 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -87.23 128.65 35.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 33.7 m-85 -120.86 114.41 21.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.429 ' O ' ' N ' ' A' ' 94' ' ' HIS . 34.5 p-10 -116.57 162.15 18.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.44 ' HB3' ' NE2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -39.41 -28.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 92' ' ' ASN . 50.3 m-70 -73.39 -64.35 1.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.817 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 171.8 -174.27 45.18 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.551 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.0 Cg_endo -69.72 127.57 14.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.258 . . . . 0.0 112.341 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.484 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -95.05 -157.33 32.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.486 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.947 HG21 ' HD3' ' A' ' 20' ' ' PRO . 20.5 m -50.71 175.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 111.153 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -132.81 118.07 18.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.441 ' HB ' HD22 ' A' ' 24' ' ' LEU . 1.1 p -56.9 158.46 8.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.629 0.728 . . . . 0.0 111.096 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 132.25 22.84 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.351 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -46.21 145.57 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.1 t -129.5 80.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.14 135.44 49.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.2 p -144.96 145.27 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -99.51 132.37 44.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.499 HG23 HD11 ' A' ' 34' ' ' ILE . 15.3 p -75.99 162.03 28.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 59.2 mt -64.74 152.13 43.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.901 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.627 0.727 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.46 18.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.292 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.11 173.89 20.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.563 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.2 Cg_endo -69.83 123.65 10.29 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.665 2.243 . . . . 0.0 112.34 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.431 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -51.01 110.88 1.95 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.555 0.693 . . . . 0.0 111.116 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 179.95 3.33 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.1 m120 43.14 48.07 5.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 38' ' ' TRP . 21.9 tp -78.78 107.05 11.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.94 139.29 48.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -137.08 131.18 32.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -128.38 129.77 46.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.74 104.18 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.27 -43.54 98.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.04 164.17 41.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.64 0.733 . . . . 0.0 110.866 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 3.22 2.85 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.9 p -126.56 -19.4 4.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.431 ' C ' HG13 ' A' ' 34' ' ' ILE . 87.5 p -126.83 174.36 8.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.724 HD11 HG23 ' A' ' 107' ' ' THR . 87.9 mt -152.71 127.63 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.099 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.7 m -100.59 109.42 21.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.462 HG13 ' HB2' ' A' ' 26' ' ' ALA . 49.7 t -98.53 143.34 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.179 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 p -132.48 161.69 33.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.466 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 48.4 p90 -164.34 157.33 17.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.431 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 3.1 mm-40 -106.93 165.32 11.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.0 m -85.65 129.8 53.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.633 0.73 . . . . 0.0 111.111 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 110.98 2.68 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.394 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.7 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.689 HG21 ' CZ ' ' A' ' 51' ' ' TYR . 49.2 mm . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.797 0.332 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -87.83 -57.46 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -147.12 159.58 43.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.689 ' CZ ' HG21 ' A' ' 48' ' ' ILE . 55.7 m-85 -113.73 141.65 47.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -110.91 112.17 23.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.704 ' O ' HG22 ' A' ' 66' ' ' VAL . 22.2 tp -100.09 130.29 46.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 1.3 m-85 -108.17 162.35 14.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -162.14 128.61 3.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -153.04 161.5 42.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -88.13 135.36 33.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 95.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.29 40.7 0.67 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.466 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.05 -25.86 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.185 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 64.1 26.15 13.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -146.21 112.22 5.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -96.72 146.9 24.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.452 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 12.3 mm-40 -112.48 179.54 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -145.09 139.9 27.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 53' ' ' LEU . 27.2 m -134.19 137.48 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.9 115.82 17.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.501 HG22 ' CD1' ' A' ' 73' ' ' TYR . 85.9 t -119.32 125.72 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.5 m -102.78 51.16 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -172.93 173.72 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.44 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 17.6 m170 -72.67 -28.55 62.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 t -129.21 151.59 49.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.501 ' CD1' HG22 ' A' ' 68' ' ' VAL . 74.8 t80 -138.35 170.86 15.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.446 ' N ' ' CG ' ' A' ' 73' ' ' TYR . 96.6 m -134.37 117.04 15.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.163 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 62.0 mt -101.72 115.45 43.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -106.02 157.51 17.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.66 53.98 2.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.533 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.8 mt -123.61 173.2 8.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.878 0.37 . . . . 0.0 110.917 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -79.85 150.2 30.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -78.18 143.79 36.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 18.2 t80 47.88 43.82 17.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.4 m -127.95 139.37 52.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -79.05 149.16 32.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -145.38 130.89 18.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -83.16 140.3 32.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -136.7 140.98 43.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -148.02 160.63 42.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 77.3 t -128.93 140.08 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.077 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 90.4 t -128.91 135.4 62.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.36 136.51 32.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 96' ' ' PRO . 29.8 m-85 -128.81 111.75 13.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 93' ' ' LYS . 51.5 p30 -132.42 165.06 25.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 92' ' ' ASN . 36.0 pttt -35.08 -48.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.501 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 15.9 m-70 -52.62 -67.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 165.04 176.0 36.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.561 ' HB3' ' CE1' ' A' ' 91' ' ' TYR . 53.3 Cg_endo -69.82 113.21 3.31 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.695 2.263 . . . . 0.0 112.312 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -83.39 -167.62 41.98 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.445 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.563 HG21 ' HD3' ' A' ' 20' ' ' PRO . 33.8 m -50.95 178.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.877 0.37 . . . . 0.0 111.128 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.6 t -132.67 135.82 46.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.7 p -57.52 158.04 12.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.708 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 102' ' ' ASP . 54.3 Cg_endo -69.75 131.93 22.29 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 2.265 . . . . 0.0 112.348 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 101' ' ' PRO . 4.9 m-20 -36.26 136.75 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.488 ' O ' HG12 ' A' ' 103' ' ' VAL . 87.3 t -123.0 78.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.96 133.61 46.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.5 p -138.03 144.17 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -97.67 128.41 44.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.724 HG23 HD11 ' A' ' 34' ' ' ILE . 2.7 p -73.17 155.12 39.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 27.4 mt -55.25 148.68 14.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.841 -179.887 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.554 HD12 ' HD2' ' A' ' 18' ' ' PRO . 4.4 mm? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.542 0.687 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.554 ' HD2' HD12 ' A' ' 17' ' ' LEU . 53.7 Cg_endo -69.7 170.63 16.06 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.64 170.66 31.15 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.578 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.5 Cg_endo -69.77 124.34 10.99 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.87 110.1 1.61 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.61 0.719 . . . . 0.0 111.144 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -178.14 2.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.641 2.227 . . . . 0.0 112.338 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.426 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 27.3 m120 40.49 47.24 2.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.5 tp -84.16 104.89 14.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.1 mmm-85 -113.72 170.16 8.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -164.75 126.96 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.105 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.4 ' CE2' ' HB ' ' A' ' 35' ' ' THR . 18.2 p90 -144.36 145.19 31.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.67 105.6 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.088 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.5 -43.43 73.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -131.55 161.69 60.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.678 0.751 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 0.26 5.89 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.709 2.273 . . . . 0.0 112.359 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.8 p -132.28 3.64 3.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.15 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.407 ' C ' HG13 ' A' ' 34' ' ' ILE . 3.5 p -143.63 176.12 9.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.61 HD11 ' CG2' ' A' ' 107' ' ' THR . 80.2 mt -153.79 134.4 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.4 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 42.4 m -105.58 126.27 51.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.3 t -122.17 126.11 73.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.453 HG22 ' HB3' ' A' ' 72' ' ' SER . 68.0 p -120.69 134.9 55.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.539 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 49.0 p90 -137.71 168.36 19.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 3.6 mm-40 -115.15 164.71 13.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.606 HG23 ' HD2' ' A' ' 41' ' ' PRO . 98.0 m -87.46 137.17 32.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.578 0.704 . . . . 0.0 111.124 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.77 112.63 3.13 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.256 . . . . 0.0 112.319 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.887 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.6 mm . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.797 0.332 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -86.4 -60.54 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -150.62 161.59 42.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -104.91 123.06 47.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.476 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 0.6 OUTLIER -96.84 111.5 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.486 ' O ' HG22 ' A' ' 66' ' ' VAL . 28.5 tp -102.57 121.92 43.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.476 ' CE1' ' HG2' ' A' ' 52' ' ' LYS . 6.9 m-85 -101.34 155.87 17.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.434 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 22.3 p90 -159.72 135.9 8.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.922 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -156.97 161.12 39.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -89.74 134.14 34.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -56.49 94.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.86 40.04 0.67 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.535 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 m -126.24 -26.07 3.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.767 0.318 . . . . 0.0 111.132 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.28 25.58 15.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -147.83 105.3 3.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -95.24 151.72 18.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -113.43 176.66 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -141.89 132.59 25.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 53' ' ' LEU . 29.6 m -129.35 137.77 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.9 116.31 21.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 70' ' ' SER . 59.0 t -119.22 125.89 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.3 p -81.85 -37.92 26.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.416 ' O ' HG12 ' A' ' 68' ' ' VAL . 15.9 p -83.98 168.59 15.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.539 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 35.3 m80 -76.33 -25.52 54.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.453 ' HB3' HG22 ' A' ' 37' ' ' THR . 70.9 p -122.63 135.49 54.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -127.71 155.63 43.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.956 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.413 HG22 HD21 ' A' ' 76' ' ' ASN . 31.8 m -118.7 106.35 12.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.162 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.1 mt -89.2 120.98 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.413 HD21 HG22 ' A' ' 74' ' ' THR . 6.3 m-80 -114.27 169.87 8.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.73 46.88 6.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.435 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.43 HD12 HG13 ' A' ' 34' ' ' ILE . 47.1 mt -118.71 163.59 16.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.908 0.385 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -74.5 165.19 25.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.3 mtmm -94.97 135.85 36.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.1 t80 62.55 45.71 6.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.0 m -132.83 142.33 48.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.171 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.513 ' OE2' ' HB1' ' A' ' 104' ' ' ALA . 20.7 tt0 -84.24 154.22 23.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -151.57 129.06 11.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.55 141.01 31.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.881 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.434 ' CE1' ' HB2' ' A' ' 55' ' ' TYR . 86.9 m-85 -135.02 137.86 43.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.438 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 9.2 ptt180 -147.96 139.5 23.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.1 t -107.26 144.48 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.5 t -134.07 132.63 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.99 127.64 35.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 31.1 m-85 -118.81 110.96 17.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.9 p30 -113.21 178.36 4.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.556 ' HD2' ' CE1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -48.43 -37.94 18.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.556 ' CE1' ' HD2' ' A' ' 93' ' ' LYS . 74.9 m-70 -64.86 -70.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.526 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 175.54 -169.53 42.32 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.514 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.556 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.3 Cg_endo -69.82 121.83 8.5 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.432 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -86.09 -155.51 26.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.578 HG21 ' HD3' ' A' ' 20' ' ' PRO . 17.3 m -58.7 173.22 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.8 t -124.76 118.23 25.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.1 p -51.8 159.0 1.44 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.558 0.694 . . . . 0.0 111.131 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 130.73 19.85 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.665 2.243 . . . . 0.0 112.335 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -42.27 137.19 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.463 ' O ' HG12 ' A' ' 103' ' ' VAL . 79.7 t -123.32 80.32 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.513 ' HB1' ' OE2' ' A' ' 83' ' ' GLU . . . -72.92 130.99 41.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.8 p -137.97 145.92 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.9 ttm-85 -98.6 126.65 44.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.61 ' CG2' HD11 ' A' ' 34' ' ' ILE . 44.3 p -74.54 163.84 27.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.5 mt -69.12 145.67 53.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.934 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.482 HD23 ' HA2' ' A' ' 97' ' ' GLY . 1.1 mp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.581 0.705 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HD3' ' ND2' ' A' ' 92' ' ' ASN . 54.1 Cg_endo -69.79 178.52 4.5 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.315 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.1 170.23 13.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.66 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.7 Cg_endo -69.75 118.47 5.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.63 108.23 0.86 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.585 0.707 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -179.07 2.68 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.313 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.479 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER 40.83 44.18 1.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' A' ' 38' ' ' TRP . 51.7 tp -77.12 103.84 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -107.69 159.97 16.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.2 126.85 7.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -145.68 148.86 33.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.34 112.67 21.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.068 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.42 -12.82 57.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.051 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.674 ' HA ' HD12 ' A' ' 108' ' ' LEU . 0.6 OUTLIER -169.69 156.51 6.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.649 0.738 . . . . 0.0 110.864 -179.776 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 5.1 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.737 2.292 . . . . 0.0 112.309 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.4 p -127.41 -10.75 5.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 p -139.62 177.19 8.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.723 HD11 ' CG2' ' A' ' 107' ' ' THR . 89.1 mt -152.61 116.79 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.5 m -87.97 133.99 33.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.9 t -129.09 132.49 67.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.454 HG22 ' CB ' ' A' ' 72' ' ' SER . 59.8 p -125.55 135.09 51.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.546 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 43.6 p90 -134.55 164.33 27.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.479 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 29.0 mt-10 -111.24 165.0 12.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.8 m -86.01 130.61 49.61 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.542 0.687 . . . . 0.0 111.168 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 110.25 2.5 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.0 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.897 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.1 mm . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.822 0.344 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -78.11 -49.98 12.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -151.91 162.52 40.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -116.61 139.06 50.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.478 ' HD2' ' CE1' ' A' ' 91' ' ' TYR . 7.5 tttp -116.21 114.2 24.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.561 ' O ' HG22 ' A' ' 66' ' ' VAL . 21.8 tp -103.1 131.42 50.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.453 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 4.3 m-85 -105.01 161.42 14.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -161.95 133.17 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -154.1 160.46 41.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.44 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 20.0 tt0 -85.31 138.34 32.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -60.86 103.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.91 43.82 1.37 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.532 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -127.64 -38.36 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 111.177 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.7 t70 73.88 28.81 1.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -154.41 110.52 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -108.55 156.35 19.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -115.21 -175.68 2.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.6 p30 -140.44 139.35 35.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.822 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 53' ' ' LEU . 33.5 m -127.93 134.75 64.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -76.85 102.64 6.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.44 HG23 HG23 ' A' ' 66' ' ' VAL . 72.5 t -104.57 149.3 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.1 p -113.36 -30.94 6.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.1 m -100.33 150.96 22.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.546 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 39.1 m80 -54.92 -43.37 73.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.454 ' CB ' HG22 ' A' ' 37' ' ' THR . 97.0 p -99.66 132.63 44.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -135.92 142.61 44.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.6 m -110.04 109.87 20.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.469 HD11 HD21 ' A' ' 53' ' ' LEU . 64.7 mt -87.21 110.94 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -96.83 168.86 10.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.89 62.35 2.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.501 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 60.3 mt -128.87 173.09 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.33 162.55 21.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.926 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.2 mttm -90.3 141.52 28.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 27.5 t80 47.81 45.86 18.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -130.42 132.31 45.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -74.73 148.82 40.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.44 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 49.5 m-85 -145.77 135.27 23.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.9 t -84.05 151.7 24.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.567 ' CE2' HG21 ' A' ' 34' ' ' ILE . 75.0 m-85 -146.15 139.43 25.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.453 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 6.5 ptp180 -151.1 136.74 17.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.8 t -102.98 137.36 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.4 t -124.75 134.45 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.76 139.58 30.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.478 ' CE1' ' HD2' ' A' ' 52' ' ' LYS . 30.4 m-85 -129.95 111.07 12.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 93' ' ' LYS . 52.0 p-10 -123.29 161.12 25.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 92' ' ' ASN . 14.3 ptmt -34.25 -46.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -57.88 -65.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.74 175.89 38.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 108.81 2.18 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.482 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -73.11 -164.1 8.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.66 HG21 ' HD3' ' A' ' 20' ' ' PRO . 17.3 m -48.48 178.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 111.098 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.7 t -130.86 131.62 44.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.9 p -57.98 155.62 23.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.579 0.704 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 130.05 18.71 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.707 2.271 . . . . 0.0 112.324 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -38.06 146.01 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.491 ' O ' HG12 ' A' ' 103' ' ' VAL . 81.5 t -131.8 78.61 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.44 128.47 35.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.126 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.2 p -135.58 144.96 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 37.7 ttm-85 -94.43 129.19 41.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.723 ' CG2' HD11 ' A' ' 34' ' ' ILE . 32.2 p -72.32 161.33 30.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 30' ' ' SER . 57.5 mt -63.27 152.74 36.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.7 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.931 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.538 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 4.4 mm? . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.589 0.709 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.519 ' HD2' ' CD1' ' A' ' 17' ' ' LEU . 54.3 Cg_endo -69.71 169.27 19.24 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.366 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.74 174.27 29.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.439 ' HD3' HG21 ' A' ' 98' ' ' VAL . 54.0 Cg_endo -69.75 121.97 8.65 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.485 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -47.46 112.43 2.07 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.578 0.704 . . . . 0.0 111.113 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 23' ' ' ASN . 53.7 Cg_endo -69.75 -176.74 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.668 2.245 . . . . 0.0 112.342 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 22' ' ' PRO . 1.1 m-80 37.4 45.11 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 38' ' ' TRP . 44.1 tp -78.44 99.6 6.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -106.61 160.06 15.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -158.39 126.98 5.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -144.72 149.92 36.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.18 105.25 16.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.057 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.34 -34.32 74.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.416 ' HA ' HD12 ' A' ' 108' ' ' LEU . 1.2 m -142.23 163.0 42.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.671 0.748 . . . . 0.0 110.853 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -4.39 13.93 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.689 2.26 . . . . 0.0 112.364 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 47.5 p -129.67 -2.11 4.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 t -134.54 173.79 11.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.403 HD11 ' CG2' ' A' ' 107' ' ' THR . 68.7 mt -150.88 131.53 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.6 m -105.65 120.46 41.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.5 t -116.11 130.43 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 30.5 p -128.35 130.36 47.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.563 ' HB3' HD12 ' A' ' 24' ' ' LEU . 46.6 p90 -132.57 166.85 21.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.485 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 4.0 mm-40 -115.31 165.05 13.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.556 HG23 ' HD2' ' A' ' 41' ' ' PRO . 88.5 m -86.02 136.24 36.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 111.121 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.556 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.9 Cg_endo -69.79 106.51 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 0.0 112.333 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.1 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.927 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.585 HG21 ' CE1' ' A' ' 51' ' ' TYR . 49.5 mm . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.809 0.338 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -76.66 -46.85 24.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -153.92 152.96 31.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE1' HG21 ' A' ' 48' ' ' ILE . 59.5 m-85 -104.97 129.4 53.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -106.14 127.81 53.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.583 ' O ' HG22 ' A' ' 66' ' ' VAL . 19.5 tp -119.68 117.71 29.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.403 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 13.1 m-85 -96.63 155.68 16.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.465 ' CE1' ' HB2' ' A' ' 64' ' ' GLN . 25.0 p90 -155.86 137.9 14.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -155.88 157.88 37.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.459 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 14.3 tt0 -86.53 133.74 33.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.471 ' HE3' ' CB ' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -57.68 94.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.07 37.57 0.87 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.507 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -125.02 -35.16 2.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.319 . . . . 0.0 111.111 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 t0 70.75 25.38 4.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.47 110.81 4.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -104.64 158.68 16.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.465 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 21.2 mm-40 -115.77 -175.04 2.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -144.05 130.65 20.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 53' ' ' LEU . 3.8 m -122.42 125.25 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 67' ' ' ASP . 0.5 OUTLIER -73.13 117.5 14.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 70' ' ' SER . 95.4 t -123.65 139.39 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.8 m -93.17 -39.04 11.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.454 ' O ' HG12 ' A' ' 68' ' ' VAL . 20.3 p -91.42 165.78 13.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -84.53 24.96 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.9 p -155.47 116.3 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -125.42 156.0 39.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.7 m -121.04 117.51 27.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.7 mt -98.3 112.32 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -103.73 175.24 5.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.41 48.03 25.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 60.9 mt -117.71 165.3 13.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -82.22 151.94 26.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -80.96 143.55 32.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.469 ' CD1' ' HB3' ' A' ' 109' ' ' SER . 2.8 t80 53.94 53.31 11.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.7 m -141.02 126.77 19.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.33 147.4 46.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.459 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 46.4 m-85 -143.48 130.16 20.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -82.81 148.29 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -142.98 142.13 31.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.403 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 16.7 ptt180 -151.03 128.61 11.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 59.6 t -101.54 138.38 25.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 69.6 t -122.52 133.22 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.445 ' HB1' HD12 ' A' ' 48' ' ' ILE . . . -87.08 128.24 35.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.086 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 32.1 m-85 -116.06 122.23 44.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.405 ' OD1' HD13 ' A' ' 48' ' ' ILE . 21.3 m-20 -114.74 163.19 15.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 94' ' ' HIS . 9.4 ptpp? -39.92 -36.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.429 ' N ' ' HG3' ' A' ' 93' ' ' LYS . 20.1 m-70 -70.8 -66.64 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.538 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . -178.8 -172.45 43.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.551 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.7 Cg_endo -69.81 132.15 22.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.373 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.433 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -88.16 -118.72 1.44 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.461 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.439 HG21 ' HD3' ' A' ' 20' ' ' PRO . 27.0 m -95.35 -177.8 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 0.0 111.133 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.0 t -129.5 110.6 11.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.6 p -44.58 158.03 0.29 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 111.125 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 130.86 20.08 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.82 132.96 1.16 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.497 ' O ' HG12 ' A' ' 103' ' ' VAL . 74.6 t -119.92 80.9 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.159 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.471 ' CB ' ' HE3' ' A' ' 58' ' ' LYS . . . -72.97 141.26 47.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.63 143.42 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.0 ttm-85 -95.1 130.18 41.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.403 ' CG2' HD11 ' A' ' 34' ' ' ILE . 39.9 p -77.3 162.13 27.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 30' ' ' SER . 33.4 mt -66.17 138.76 57.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.469 ' HB3' ' CD1' ' A' ' 81' ' ' TYR . 95.3 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.651 HD13 ' HA2' ' A' ' 97' ' ' GLY . 44.3 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.61 ' HG2' ' HB3' ' A' ' 90' ' ' ALA . 54.3 Cg_endo -69.75 148.08 64.37 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.683 2.255 . . . . 0.0 112.365 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.41 173.97 55.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.462 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.7 Cg_endo -69.75 128.91 16.72 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.73 2.287 . . . . 0.0 112.336 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.95 112.04 4.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.712 . . . . 0.0 111.068 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -179.33 2.83 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.371 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.407 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 27.3 m120 40.83 49.32 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.6 tp -86.62 99.36 11.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.7 mmp_? -110.68 163.85 13.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.75 127.43 6.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -143.17 139.2 30.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.78 106.62 9.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.05 -37.3 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -144.94 162.32 38.63 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.661 0.743 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 1.8 4.1 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.323 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.516 HG22 ' HE2' ' A' ' 80' ' ' LYS . 70.3 p -131.48 -1.73 3.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.4 p -143.44 170.19 16.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.492 HD11 HG23 ' A' ' 107' ' ' THR . 89.1 mt -147.16 134.76 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.3 m -105.5 132.07 52.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.0 t -125.49 130.24 72.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.9 p -123.39 133.65 54.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.444 ' HH2' HG11 ' A' ' 68' ' ' VAL . 41.4 p90 -139.56 166.46 24.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.407 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 5.6 mm-40 -116.77 165.34 13.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.5 m -85.7 133.24 42.15 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.613 0.721 . . . . 0.0 111.114 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 114.92 3.87 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.249 . . . . 0.0 112.341 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.912 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.489 HG21 ' CE1' ' A' ' 51' ' ' TYR . 20.6 mm . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.828 0.347 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -60.4 -53.75 53.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -157.19 165.73 35.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.489 ' CE1' HG21 ' A' ' 48' ' ' ILE . 27.7 m-85 -113.03 125.6 54.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.97 123.3 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.619 ' O ' HG22 ' A' ' 66' ' ' VAL . 22.7 tp -114.46 113.58 24.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.454 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 4.9 m-85 -91.22 159.12 16.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.423 ' CZ ' ' NE2' ' A' ' 64' ' ' GLN . 13.4 p90 -161.85 137.03 7.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -156.36 162.15 40.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 58' ' ' LYS . 10.3 tt0 -94.31 110.47 22.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' GLU . 13.9 tptp -33.86 104.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 128.32 -39.0 1.96 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.528 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -29.4 54.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.323 . . . . 0.0 111.084 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 64.02 25.04 13.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -151.11 118.04 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.71 157.65 16.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.423 ' NE2' ' CZ ' ' A' ' 55' ' ' TYR . 18.7 mt-30 -114.72 -174.74 2.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.53 130.01 25.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 53' ' ' LEU . 23.1 m -128.23 138.83 53.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -73.45 123.98 24.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.545 HG12 ' H ' ' A' ' 70' ' ' SER . 87.4 t -130.48 123.89 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.2 m -110.96 37.01 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.545 ' H ' HG12 ' A' ' 68' ' ' VAL . 39.2 m -152.05 146.51 25.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -55.75 -32.22 63.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.8 p -120.13 150.12 41.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -141.89 157.57 44.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.9 m -128.88 113.93 15.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.2 mt -94.39 122.41 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.01 157.53 21.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.442 ' O ' HD23 ' A' ' 78' ' ' LEU . . . 88.83 56.13 2.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 77' ' ' GLY . 26.5 mt -129.28 168.31 16.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -82.45 166.43 19.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.516 ' HE2' HG22 ' A' ' 32' ' ' THR . 0.0 OUTLIER -93.95 146.86 23.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.5 t80 52.65 44.58 29.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.4 m -129.32 135.25 48.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -76.63 145.43 38.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -141.79 132.78 26.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.7 t -88.13 151.74 22.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -147.52 140.22 24.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.454 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 6.1 ptp180 -151.05 138.49 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 90.5 t -108.16 139.77 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.403 HG22 ' CB ' ' A' ' 99' ' ' SER . 86.8 t -135.64 143.78 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.61 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -96.52 122.73 39.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.122 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.547 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 21.2 m-85 -108.79 112.5 24.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.464 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 43.8 p-10 -124.28 161.52 25.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 92' ' ' ASN . 4.8 ptpp? -36.01 -41.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -62.78 -67.36 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.524 ' O ' HD22 ' A' ' 17' ' ' LEU . . . 174.03 172.22 39.1 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.547 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.5 Cg_endo -69.79 87.52 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.651 ' HA2' HD13 ' A' ' 17' ' ' LEU . . . -51.46 -174.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.462 HG21 ' HD3' ' A' ' 20' ' ' PRO . 28.3 m -42.98 166.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.343 . . . . 0.0 111.111 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.403 ' CB ' HG22 ' A' ' 89' ' ' VAL . 43.8 t -127.23 137.28 52.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.49 158.29 21.91 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.568 0.699 . . . . 0.0 111.165 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 130.97 20.28 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.679 2.253 . . . . 0.0 112.348 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -40.69 139.29 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 86.4 t -121.68 79.79 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.43 136.64 51.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.1 p -147.02 145.88 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 42.9 ttm-85 -101.05 131.04 47.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.492 HG23 HD11 ' A' ' 34' ' ' ILE . 2.4 p -72.01 171.96 10.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.176 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 46.6 mt -74.77 143.98 43.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.531 HD12 ' HD2' ' A' ' 18' ' ' PRO . 4.4 mm? . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.633 0.73 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HD2' HD12 ' A' ' 17' ' ' LEU . 54.2 Cg_endo -69.77 154.6 67.52 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.274 . . . . 0.0 112.33 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.23 167.25 54.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.856 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.7 Cg_endo -69.75 134.84 28.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.366 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -57.63 109.97 2.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.569 0.7 . . . . 0.0 111.118 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -178.4 2.32 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.419 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 24.1 m120 44.28 42.85 5.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.1 tp -76.92 102.59 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -111.94 163.0 14.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -160.75 127.0 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -143.49 148.63 36.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.66 109.45 20.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.076 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.78 -38.65 58.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.613 ' HA ' HD12 ' A' ' 108' ' ' LEU . 7.2 m -138.41 158.41 70.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.643 0.735 . . . . 0.0 110.844 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.95 2.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.8 p -131.95 -3.2 3.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 p -138.76 176.86 8.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.814 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.893 HD11 HG23 ' A' ' 107' ' ' THR . 62.3 mt -156.42 129.42 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.7 m -103.22 139.74 38.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.6 t -132.92 131.75 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.1 p -123.67 129.82 51.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.509 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 49.0 p90 -134.01 162.92 30.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.981 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.449 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 33.4 mm-40 -114.34 165.22 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.638 HG23 ' HD2' ' A' ' 41' ' ' PRO . 89.5 m -85.67 137.95 35.89 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.589 0.709 . . . . 0.0 111.173 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.638 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.82 124.6 11.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.917 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 49' ' ' GLN . 25.5 mm . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.784 0.326 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.446 ' N ' HG22 ' A' ' 48' ' ' ILE . 2.7 mp0 -118.48 -38.62 3.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -143.37 160.39 40.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -127.49 117.21 21.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.552 ' HD2' ' CE1' ' A' ' 91' ' ' TYR . 10.4 ttmm -90.27 131.91 35.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.7 tp -121.13 125.39 47.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 1.6 m-85 -103.21 148.1 26.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -151.58 133.12 14.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -157.18 162.23 39.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.576 ' HG3' ' CE2' ' A' ' 84' ' ' TYR . 33.7 mt-10 -82.21 136.81 35.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -59.88 101.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.86 42.95 2.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.469 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 m -124.27 -35.51 2.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 111.164 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t70 71.48 27.7 3.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -134.8 82.4 1.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.401 ' OE2' ' NE ' ' A' ' 87' ' ' ARG . 4.0 tt0 -73.38 150.47 41.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.409 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 28.1 mt-30 -122.93 -179.47 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -153.72 130.79 11.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.5 m -127.56 132.81 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -77.82 117.15 18.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.8 t -124.3 145.67 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.6 t -103.27 -36.48 8.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.6 m -80.82 172.11 14.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.509 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 16.8 m80 -79.73 -34.16 40.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.9 p -112.04 143.59 42.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -139.29 149.91 44.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.7 m -117.45 116.41 27.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.9 mt -95.53 118.18 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -105.78 172.06 7.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.3 56.45 4.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.446 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.401 HD12 HG13 ' A' ' 34' ' ' ILE . 38.9 mt -129.15 162.44 27.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -76.66 170.98 15.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -97.68 141.96 30.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.7 t80 55.87 44.09 26.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.4 m -127.01 136.03 51.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.158 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -79.0 144.83 34.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 57' ' ' GLU . 42.1 m-85 -140.75 130.15 23.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.0 t -84.31 149.64 25.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.418 ' CE2' HG21 ' A' ' 34' ' ' ILE . 79.0 m-85 -146.28 140.53 26.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.43 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 5.5 ptp180 -151.01 132.7 14.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 72.0 t -100.54 129.63 51.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.0 t -118.78 137.81 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.513 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -86.98 125.11 33.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 23.5 m-85 -121.41 108.2 13.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -117.69 171.25 8.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -42.66 -41.87 3.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -61.85 -70.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.528 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 177.03 -178.59 48.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.0 Cg_endo -69.69 125.65 12.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 0.0 112.387 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.437 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -93.59 -168.8 38.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.856 HG21 ' HD3' ' A' ' 20' ' ' PRO . 18.3 m -43.17 167.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.1 t -125.85 124.09 40.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.3 p -55.08 157.24 6.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 0.0 111.129 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 130.72 19.76 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.637 2.225 . . . . 0.0 112.327 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -38.55 133.99 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.562 ' O ' HG12 ' A' ' 103' ' ' VAL . 79.1 t -118.74 77.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.32 139.55 54.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.1 p -145.44 141.78 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.3 ttm105 -90.86 125.29 35.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.893 HG23 HD11 ' A' ' 34' ' ' ILE . 3.8 p -73.29 154.45 40.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 30' ' ' SER . 34.9 mt -56.93 141.86 43.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.663 HD23 ' HA2' ' A' ' 97' ' ' GLY . 1.4 mp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.687 0.756 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HD3' ' ND2' ' A' ' 92' ' ' ASN . 53.9 Cg_endo -69.78 -179.54 2.99 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.686 2.258 . . . . 0.0 112.345 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.28 168.73 13.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.695 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.6 Cg_endo -69.77 132.84 24.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -61.42 112.24 5.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.554 0.693 . . . . 0.0 111.126 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 23' ' ' ASN . 53.4 Cg_endo -69.77 -174.11 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.702 2.268 . . . . 0.0 112.34 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 22' ' ' PRO . 1.0 OUTLIER 33.99 51.6 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.422 HD12 ' HB3' ' A' ' 38' ' ' TRP . 51.1 tp -82.32 106.22 14.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 mmm-85 -111.77 162.3 15.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.482 ' HB3' HG11 ' A' ' 103' ' ' VAL . . . -160.95 126.64 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -144.46 145.52 31.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' ' 107' ' ' THR . . . -87.42 107.51 18.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.54 -35.56 70.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 m -137.65 160.81 63.57 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.665 0.745 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -1.94 9.31 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.643 2.229 . . . . 0.0 112.388 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.3 p -126.42 -16.6 5.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.8 m -130.21 169.35 15.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.545 HD11 HG23 ' A' ' 107' ' ' THR . 94.1 mt -144.01 148.79 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 78.4 m -117.73 117.03 28.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.3 t -111.99 134.97 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 46.5 p -132.03 130.36 41.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.601 ' CZ2' ' O ' ' A' ' 71' ' ' HIS . 39.7 p90 -129.66 169.09 15.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.406 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 4.8 mm-40 -115.75 164.54 14.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.4 m -86.1 130.96 48.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 111.142 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 108.56 2.12 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.707 2.271 . . . . 0.0 112.326 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.159 179.894 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.715 HG21 ' CZ ' ' A' ' 51' ' ' TYR . 21.4 mm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.753 0.311 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -79.15 -54.1 6.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -141.83 154.71 45.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.715 ' CZ ' HG21 ' A' ' 48' ' ' ILE . 46.5 m-85 -108.5 137.83 45.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -107.97 135.04 50.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.663 ' O ' HG22 ' A' ' 66' ' ' VAL . 19.3 tp -131.67 115.5 16.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.551 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 1.5 m-85 -95.58 158.7 15.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -159.97 132.79 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.5 ptt? -158.68 162.1 37.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.411 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 19.6 tt0 -82.19 133.43 35.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -60.38 99.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.23 42.77 0.88 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.73 -32.31 1.48 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.747 0.308 . . . . 0.0 111.118 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 0.5 OUTLIER 67.84 26.43 7.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.48 75.67 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.0 149.59 49.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.551 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 69.8 mt-30 -121.69 175.1 6.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.02 130.79 15.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.663 HG22 ' O ' ' A' ' 53' ' ' LEU . 30.9 m -128.12 141.05 47.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -84.31 116.36 22.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.2 t -117.7 152.15 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.0 t -107.63 -37.51 6.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.6 m -95.52 155.17 16.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.601 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 71.5 m80 -60.61 -38.55 85.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.4 m -103.03 123.33 46.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -123.43 160.12 27.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 84.8 m -123.08 114.82 20.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.165 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.0 mt -95.06 114.77 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -108.38 150.76 26.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.99 55.95 1.55 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 65.8 mt -123.92 174.06 7.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.894 0.378 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -80.77 154.11 27.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -82.83 144.97 29.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.484 ' CE1' ' HD3' ' A' ' 106' ' ' ARG . 53.5 t80 42.11 46.05 3.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 34.5 m -127.87 136.81 51.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.174 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -70.66 148.53 47.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 35.8 m-85 -149.0 130.52 14.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 t -83.05 155.59 23.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -150.93 142.25 23.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.455 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 4.4 ptp180 -151.17 161.02 43.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.1 t -130.73 133.0 63.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.173 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 94.0 t -123.37 135.7 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.93 126.22 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 39.3 m-85 -117.23 106.94 13.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.418 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 51.4 p-10 -118.71 177.62 4.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -45.88 -49.25 15.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -55.59 -65.22 0.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 166.85 -179.85 40.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.553 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.0 Cg_endo -69.75 109.7 2.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.652 2.235 . . . . 0.0 112.377 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.663 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -80.09 -164.06 29.16 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.508 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.695 HG21 ' HD3' ' A' ' 20' ' ' PRO . 24.9 m -46.37 168.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.827 0.346 . . . . 0.0 111.145 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.4 t -126.73 131.18 51.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.7 p -57.7 158.09 12.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.552 0.691 . . . . 0.0 111.138 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 131.22 20.77 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.62 146.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.485 ' O ' HG12 ' A' ' 103' ' ' VAL . 77.4 t -126.33 78.84 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.37 126.14 28.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.3 p -137.26 146.37 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.484 ' HD3' ' CE1' ' A' ' 81' ' ' TYR . 37.3 ttm-85 -100.77 123.0 44.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.545 HG23 HD11 ' A' ' 34' ' ' ILE . 6.3 p -62.98 174.77 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 28.6 mt -75.04 150.99 38.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.912 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.54 HD13 ' HA2' ' A' ' 97' ' ' GLY . 39.2 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.633 0.73 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 165.88 29.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.46 169.29 25.98 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ALA . 53.3 Cg_endo -69.78 111.6 2.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.231 . . . . 0.0 112.326 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' PRO . . . -34.86 115.32 0.51 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 0.0 111.097 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 173.5 10.89 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.367 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.9 m120 47.31 49.62 15.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 tp -84.54 103.94 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -113.47 158.45 20.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.78 129.91 10.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -145.4 145.28 31.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 107' ' ' THR . . . -84.07 100.7 11.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.77 -46.09 83.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -130.03 162.35 54.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.691 0.758 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -3.76 12.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.745 2.296 . . . . 0.0 112.335 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.9 p -130.52 9.08 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -147.98 171.88 15.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.544 HD11 HG23 ' A' ' 107' ' ' THR . 80.8 mt -151.54 125.3 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.5 m -100.35 127.32 46.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.8 t -118.16 127.95 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.1 p -121.12 143.3 49.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 45.1 p90 -145.82 -178.65 6.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -122.29 166.26 14.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.488 HG23 ' HD2' ' A' ' 41' ' ' PRO . 74.9 m -84.34 134.62 42.62 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.537 0.684 . . . . 0.0 111.189 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.488 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.6 Cg_endo -69.79 145.48 57.12 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 42' ' ' VAL . 28.2 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.15 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.1 mm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.798 0.332 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -98.95 -57.7 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -144.14 172.45 12.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -122.29 118.84 29.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.455 ' HE2' ' CE1' ' A' ' 91' ' ' TYR . 5.0 tppt? -95.78 129.69 42.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.438 ' O ' HG22 ' A' ' 66' ' ' VAL . 64.6 tp -114.87 123.69 49.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.936 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.445 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 2.3 m-85 -104.84 154.32 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -160.27 130.54 5.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -156.23 154.92 31.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -82.02 130.73 35.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.17 96.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.89 39.09 0.67 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.444 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.82 -27.77 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 111.167 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 63.96 26.4 14.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -147.74 110.75 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.409 ' CD ' ' HB3' ' A' ' 54' ' ' TYR . 24.3 tt0 -106.11 151.04 25.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -117.22 169.96 9.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -130.84 128.79 41.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 53' ' ' LEU . 35.1 m -120.16 136.43 57.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.52 120.92 17.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.3 t -127.67 127.72 68.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.6 m -116.51 49.92 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.4 p -163.07 167.08 22.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -79.12 -23.76 43.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 94.0 p -130.83 127.57 38.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -131.01 143.73 50.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 87.3 m -112.96 127.35 56.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.11 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.424 HD11 HD21 ' A' ' 53' ' ' LEU . 44.8 mt -107.33 111.47 35.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.441 ' H ' ' ND2' ' A' ' 76' ' ' ASN . 0.6 OUTLIER -100.02 155.42 17.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.78 47.88 2.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.538 HD12 HG13 ' A' ' 34' ' ' ILE . 28.8 mt -121.86 157.56 30.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.871 0.367 . . . . 0.0 110.95 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -71.82 156.65 39.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.64 145.73 28.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.505 ' CD1' ' HB2' ' A' ' 109' ' ' SER . 4.0 t80 48.75 44.33 21.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.8 m -128.43 128.49 44.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -70.22 147.66 49.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -146.23 131.15 18.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 t -83.2 155.27 23.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.442 ' CE2' HG21 ' A' ' 34' ' ' ILE . 78.9 m-85 -149.52 136.98 20.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.445 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 12.0 ptp180 -151.17 134.12 15.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 88.8 t -104.99 135.44 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.562 HG22 ' HB2' ' A' ' 99' ' ' SER . 88.8 t -117.34 129.72 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.53 114.24 23.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.067 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 41.6 m-85 -99.2 108.01 20.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -107.8 158.97 16.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -39.6 -32.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -75.47 -63.4 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.46 172.77 45.56 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.565 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.1 Cg_endo -69.78 86.79 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.54 ' HA2' HD13 ' A' ' 17' ' ' LEU . . . -50.6 -179.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.3 m -41.86 163.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 111.118 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.562 ' HB2' HG22 ' A' ' 89' ' ' VAL . 31.9 t -123.98 136.68 54.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.1 p -51.81 153.31 4.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.708 . . . . 0.0 111.151 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 102' ' ' ASP . 53.7 Cg_endo -69.8 131.0 20.27 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 101' ' ' PRO . 4.5 p-10 -33.74 133.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.717 ' O ' HG12 ' A' ' 103' ' ' VAL . 41.3 t -120.32 75.37 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.98 142.8 58.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.4 p -150.02 144.38 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.2 ttm-85 -95.97 131.25 42.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.544 HG23 HD11 ' A' ' 34' ' ' ILE . 15.8 p -80.26 165.24 22.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.8 mt -69.27 139.73 54.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.505 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 40.0 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.531 HD12 ' HD2' ' A' ' 18' ' ' PRO . 4.5 mm? . . . . . 0 C--O 1.232 0.159 0 CA-C-O 121.629 0.728 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HD2' HD12 ' A' ' 17' ' ' LEU . 53.6 Cg_endo -69.75 170.75 15.84 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.734 2.289 . . . . 0.0 112.355 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.0 171.36 29.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.953 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.5 Cg_endo -69.79 123.92 10.56 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.661 2.24 . . . . 0.0 112.351 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.634 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -55.58 110.4 2.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.526 0.679 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -178.51 2.34 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.648 2.232 . . . . 0.0 112.383 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.48 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 22.9 m120 44.38 47.26 8.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.5 tp -80.92 103.8 10.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.971 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -111.9 158.05 19.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.56 127.1 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.507 ' CE2' ' HB ' ' A' ' 35' ' ' THR . 17.7 p90 -143.02 141.45 31.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.17 104.62 9.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.01 -29.35 62.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 m -151.46 159.29 33.63 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.663 0.744 . . . . 0.0 110.846 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 3.37 2.8 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.9 p -129.5 -8.3 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.44 ' C ' HG13 ' A' ' 34' ' ' ILE . 1.8 p -139.5 176.78 8.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.442 HD12 ' HZ ' ' A' ' 86' ' ' PHE . 95.4 mt -151.0 122.54 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.507 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 99.1 m -91.58 125.56 36.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 39.8 t -122.3 133.46 68.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.809 HG22 ' HB2' ' A' ' 72' ' ' SER . 68.4 p -126.23 130.29 50.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.54 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 41.2 p90 -131.43 166.64 20.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.634 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 47.1 mm-40 -116.03 165.12 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.563 HG23 ' HD2' ' A' ' 41' ' ' PRO . 87.2 m -85.81 136.59 36.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.537 0.684 . . . . 0.0 111.147 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.563 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.81 117.22 4.96 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.315 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.3 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.9 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.931 HD13 ' OD1' ' A' ' 92' ' ' ASN . 19.1 mm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.771 0.319 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -85.94 -55.25 4.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -146.49 163.43 35.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -112.67 136.36 52.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.443 ' HE2' ' CE1' ' A' ' 91' ' ' TYR . 1.3 tppt? -109.42 129.81 55.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.603 ' O ' HG22 ' A' ' 66' ' ' VAL . 24.4 tp -124.72 106.24 9.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.43 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 3.1 m-85 -86.8 159.04 19.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -158.43 136.41 10.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -156.9 161.57 39.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -84.72 135.8 33.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -59.24 103.15 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.8 38.93 1.49 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.535 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -128.49 -39.34 1.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.763 0.316 . . . . 0.0 111.144 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.2 t0 72.48 28.46 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -149.99 108.56 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -110.14 161.35 15.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -116.61 -176.33 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.59 131.02 35.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.607 ' O ' HG23 ' A' ' 66' ' ' VAL . 15.6 m -124.46 116.8 48.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.68 118.65 12.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.1 t -121.54 146.61 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.8 p -100.21 -39.21 8.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.1 m -83.04 162.16 21.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.54 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 13.2 m80 -64.15 -37.81 88.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.809 ' HB2' HG22 ' A' ' 37' ' ' THR . 2.6 t -109.45 152.38 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -151.09 156.33 40.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.4 m -119.08 122.49 42.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.6 mt -100.55 104.0 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.099 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.26 172.3 8.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.05 50.21 4.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.2 mt -125.22 176.54 6.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.92 0.39 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -83.08 161.45 21.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -87.85 137.67 32.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.581 ' CE1' ' HD3' ' A' ' 106' ' ' ARG . 6.7 t80 52.04 46.25 26.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.2 m -126.91 143.57 51.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.174 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -77.32 151.27 35.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -153.0 132.1 12.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 t -86.23 159.73 19.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.442 ' HZ ' HD12 ' A' ' 34' ' ' ILE . 96.2 m-85 -153.61 139.85 18.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.43 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 6.8 ptp180 -148.09 132.07 17.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 71.5 t -99.5 126.54 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.5 t -121.27 129.84 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.709 ' HB1' HD12 ' A' ' 48' ' ' ILE . . . -87.0 127.23 35.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 29.5 m-85 -112.58 106.91 15.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.931 ' OD1' HD13 ' A' ' 48' ' ' ILE . 10.2 m-20 -100.48 164.7 11.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -40.29 -29.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.448 ' N ' ' HG2' ' A' ' 93' ' ' LYS . 48.3 m-70 -75.53 -51.79 12.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.522 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 160.76 -166.2 35.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.45 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.555 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.5 Cg_endo -69.78 125.06 11.7 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.439 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -94.53 -162.53 35.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.953 HG21 ' HD3' ' A' ' 20' ' ' PRO . 30.4 m -41.98 165.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 0.0 111.113 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.1 t -123.99 119.25 29.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 p -56.79 157.26 10.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.514 0.673 . . . . 0.0 111.188 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 130.39 19.31 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.731 2.288 . . . . 0.0 112.346 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.22 145.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.54 ' O ' HG12 ' A' ' 103' ' ' VAL . 76.5 t -130.7 79.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.09 138.62 47.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.6 p -150.49 147.03 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.581 ' HD3' ' CE1' ' A' ' 81' ' ' TYR . 34.1 ttm-85 -95.37 130.2 42.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.5 p -72.01 176.49 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 23.0 mt -83.55 156.63 22.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.954 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.537 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 4.4 mm? . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.617 0.723 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.517 ' HD2' ' CD1' ' A' ' 17' ' ' LEU . 53.9 Cg_endo -69.76 156.08 64.25 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.66 172.78 50.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.755 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.8 Cg_endo -69.75 143.83 52.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.648 2.232 . . . . 0.0 112.392 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -70.93 115.92 41.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.582 0.706 . . . . 0.0 111.08 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -176.16 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.636 2.224 . . . . 0.0 112.329 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.421 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 23.9 m120 39.33 50.27 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.9 tp -85.7 101.22 12.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -109.92 163.36 13.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.412 ' CB ' HG11 ' A' ' 103' ' ' VAL . . . -158.82 129.6 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -150.18 142.24 23.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.55 112.19 19.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.39 -27.32 38.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.059 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 m -141.66 157.3 65.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.699 0.762 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -1.28 8.22 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.364 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.5 p -129.1 -6.45 4.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.162 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -138.79 172.14 13.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.512 HD11 HG23 ' A' ' 107' ' ' THR . 97.1 mt -146.98 142.64 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 79.0 m -111.21 126.0 54.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.2 t -120.04 134.28 64.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.8 p -130.5 139.65 50.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 30.4 p90 -141.99 179.57 6.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.425 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 4.7 mm-40 -126.03 165.21 19.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.472 HG23 ' HD2' ' A' ' 41' ' ' PRO . 38.0 m -85.43 134.06 41.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 111.114 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.472 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.79 118.51 5.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 2.229 . . . . 0.0 112.33 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.8 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.9 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.657 HG21 ' CE1' ' A' ' 51' ' ' TYR . 28.9 mm . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.78 0.324 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -86.93 -65.75 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.94 161.89 34.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.657 ' CE1' HG21 ' A' ' 48' ' ' ILE . 52.8 m-85 -115.38 122.99 47.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.43 141.99 28.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.845 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.454 ' O ' HG22 ' A' ' 66' ' ' VAL . 18.6 tp -134.64 130.99 37.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.447 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 4.4 m-85 -111.41 162.81 14.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -160.56 131.98 5.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -151.94 162.1 41.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -90.59 130.87 36.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -54.94 98.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.17 32.92 1.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.506 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -123.55 -26.83 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 60.43 31.03 20.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -157.89 112.5 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -108.19 158.06 17.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.447 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 21.2 mm100 -109.89 -177.91 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.94 132.48 32.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 53' ' ' LEU . 16.1 m -129.23 140.44 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -73.35 132.63 43.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.598 HG22 ' CD2' ' A' ' 73' ' ' TYR . 85.2 t -138.83 129.23 33.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.2 m -121.89 44.25 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.821 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.422 ' H ' HG12 ' A' ' 68' ' ' VAL . 21.5 p -163.98 165.28 22.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.451 ' HE2' ' HG1' ' A' ' 40' ' ' THR . 49.9 m80 -83.44 9.61 10.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 94.8 p -147.69 132.06 17.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.598 ' CD2' HG22 ' A' ' 68' ' ' VAL . 47.6 t80 -141.54 156.08 45.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 34.7 m -131.66 121.21 23.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 77.0 mt -100.09 120.72 49.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -111.95 159.47 18.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.63 51.12 2.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 54.0 mt -121.78 173.79 7.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.863 0.364 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -83.66 165.79 18.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -90.16 142.78 27.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.7 t80 48.24 49.28 17.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.2 m -131.35 145.65 51.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -81.91 152.88 26.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -151.67 129.59 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 t -84.61 154.51 22.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -147.22 138.47 23.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -148.57 139.67 23.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.0 t -108.23 141.74 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.4 t -133.31 131.28 57.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.09 130.37 34.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 34.9 m-85 -118.65 120.45 37.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.504 HD21 HD13 ' A' ' 48' ' ' ILE . 4.5 m-20 -127.25 168.26 14.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.456 ' HE3' ' CE1' ' A' ' 94' ' ' HIS . 29.3 pttt -39.7 -44.53 1.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.456 ' CE1' ' HE3' ' A' ' 93' ' ' LYS . 12.2 m-70 -61.78 -60.53 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 164.9 -175.81 40.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.449 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.4 Cg_endo -69.73 129.25 17.3 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.386 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.455 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -90.03 -150.85 24.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.755 HG21 ' HD3' ' A' ' 20' ' ' PRO . 20.0 m -60.54 -179.8 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 111.089 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.4 t -135.91 115.19 12.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -47.67 160.37 0.39 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.641 0.734 . . . . 0.0 111.086 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 134.06 27.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -44.08 133.71 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.467 ' O ' HG12 ' A' ' 103' ' ' VAL . 73.8 t -117.37 83.53 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -78.02 137.72 38.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.111 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.3 p -149.9 145.59 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.5 ttm-85 -95.26 133.07 39.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.512 HG23 HD11 ' A' ' 34' ' ' ILE . 14.7 p -76.98 171.23 15.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.1 mt -74.2 153.52 39.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.8 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.935 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.5 m -96.58 96.09 8.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 0.0 110.793 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -93.15 146.19 23.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 168.25 -40.55 0.23 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.427 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 4' ' ' GLY . 3.7 t -35.14 109.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 p -120.43 173.95 6.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.68 139.82 13.81 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.542 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -89.17 75.86 7.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.909 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 9' ' ' VAL . 26.4 m -129.56 119.83 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -84.06 37.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.5 p -144.21 179.64 7.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.127 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -135.25 144.65 50.74 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.549 0.69 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -163.94 0.12 Allowed 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.655 2.237 . . . . 0.0 112.348 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -52.28 -176.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 15' ' ' VAL . 39.0 t -119.42 -8.94 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.415 ' O ' HD12 ' A' ' 17' ' ' LEU . 31.3 mt-30 -128.76 76.19 1.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.465 HD23 ' HA2' ' A' ' 97' ' ' GLY . 0.6 OUTLIER -121.96 159.84 49.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.719 . . . . 0.0 110.899 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.494 ' CG ' ' HB3' ' A' ' 90' ' ' ALA . 53.9 Cg_endo -69.72 161.66 45.07 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.716 2.278 . . . . 0.0 112.331 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.91 176.68 27.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.507 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.728 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.4 Cg_endo -69.76 130.89 20.12 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -68.11 113.39 14.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.546 0.689 . . . . 0.0 111.108 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -177.37 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.4 m120 42.73 51.25 5.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.6 tp -89.8 102.79 15.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.1 mmm-85 -116.3 156.91 25.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.91 127.2 9.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -141.73 140.84 33.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.68 101.22 6.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.81 -21.36 62.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -156.94 160.8 30.47 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.666 0.746 . . . . 0.0 110.843 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -3.82 12.8 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.636 2.224 . . . . 0.0 112.356 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.42 HG22 ' HE3' ' A' ' 80' ' ' LYS . 60.6 p -130.9 1.55 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.79 169.05 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.458 HD11 HG23 ' A' ' 107' ' ' THR . 95.9 mt -150.2 134.37 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 45.9 m -104.98 130.56 53.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.6 t -123.61 127.7 74.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.2 p -123.25 131.41 53.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 44.5 p90 -138.96 167.77 21.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.554 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 9.7 mm-40 -117.43 165.34 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.671 HG23 ' HD2' ' A' ' 41' ' ' PRO . 90.1 m -85.56 138.79 35.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.613 0.72 . . . . 0.0 111.152 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.9 Cg_endo -69.75 132.13 22.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.4 m -64.78 -19.39 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 t -105.85 134.62 48.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.35 157.95 8.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -93.57 124.75 37.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.838 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.11 -125.73 34.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.435 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -133.88 152.41 51.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.853 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.681 HD12 ' HB1' ' A' ' 90' ' ' ALA . 21.5 mm -77.05 119.18 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -54.89 -57.95 9.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -149.94 151.22 33.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -96.66 121.95 39.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -92.47 116.05 28.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.678 ' O ' HG22 ' A' ' 66' ' ' VAL . 27.5 tp -106.88 108.59 20.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.437 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 2.2 m-85 -86.06 154.86 21.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -159.52 133.13 7.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -155.76 161.55 40.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -91.0 134.14 34.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -55.46 100.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.59 37.1 1.34 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.448 ' O ' ' CG ' ' A' ' 61' ' ' ASP . 0.6 OUTLIER -126.41 -26.38 3.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.325 . . . . 0.0 111.14 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 60' ' ' THR . 1.2 p30 53.28 25.28 4.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -131.86 70.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -61.62 152.75 29.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -124.78 -174.84 3.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -152.83 135.81 15.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 53' ' ' LEU . 29.3 m -128.45 137.46 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -71.7 124.43 24.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.515 HG12 ' H ' ' A' ' 70' ' ' SER . 42.4 t -143.78 136.99 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.2 p -125.45 39.07 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.515 ' H ' HG12 ' A' ' 68' ' ' VAL . 13.7 p -143.08 169.88 16.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -95.88 24.27 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.1 p -169.59 120.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -135.44 145.34 47.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.4 m -115.43 125.41 53.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.134 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.7 mt -103.5 106.87 20.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.171 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -94.6 -179.98 5.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.27 51.98 19.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.8 mt -126.88 164.6 21.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.892 0.377 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -74.16 168.91 18.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.42 ' HE3' HG22 ' A' ' 32' ' ' THR . 0.6 OUTLIER -100.06 129.07 46.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.469 ' CD1' ' HB2' ' A' ' 109' ' ' SER . 22.9 t80 70.63 25.11 4.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.9 m -108.7 144.72 36.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.182 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -83.64 151.11 25.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -150.72 127.51 10.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 t -82.76 151.01 26.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -145.28 139.36 27.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.437 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 9.8 ptp180 -150.57 138.12 19.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 98.8 t -102.51 142.93 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.8 t -138.26 135.61 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.681 ' HB1' HD12 ' A' ' 48' ' ' ILE . . . -90.8 123.83 34.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.489 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 28.7 m-85 -114.1 112.86 23.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -125.26 171.61 10.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 94' ' ' HIS . 7.0 pttm -43.91 -43.03 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 93' ' ' LYS . 98.0 m-70 -60.53 -69.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 169.5 172.81 36.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.425 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.489 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.8 Cg_endo -69.76 105.42 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.372 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.465 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -75.15 -167.01 19.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.728 HG21 ' HD3' ' A' ' 20' ' ' PRO . 18.8 m -41.04 160.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.342 . . . . 0.0 111.187 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.8 t -121.72 133.97 54.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.85 160.45 15.31 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.586 0.708 . . . . 0.0 111.142 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 138.08 37.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.651 2.234 . . . . 0.0 112.385 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -49.42 138.91 12.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.3 t -122.01 87.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.98 135.96 35.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.5 p -148.38 138.28 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.6 ttm-85 -90.72 137.59 32.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.458 HG23 HD11 ' A' ' 34' ' ' ILE . 14.9 p -78.79 166.44 22.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 51.0 mt -68.43 146.68 52.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.469 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 15.2 t -97.41 122.12 40.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.11 -32.02 69.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.0 t -44.37 -54.47 5.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 174.4 172.54 39.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 114' ' ' SER . 54.3 Cg_endo -69.8 2.84 3.19 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.677 2.251 . . . . 0.0 112.35 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 113' ' ' PRO . 59.6 m -34.62 107.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.5 t -59.69 138.42 57.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -72.86 146.08 46.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.88 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.4 m -65.06 108.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.78 -157.94 2.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t -167.99 157.47 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 110.879 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -75.41 152.62 37.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.7 -125.6 3.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 8' ' ' ARG . 10.4 ttm105 -154.65 161.11 41.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.844 0.354 . . . . 0.0 110.846 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.7 m -113.92 133.82 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.3 -178.12 4.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.9 p -109.06 162.71 13.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -174.26 146.08 1.09 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.641 0.734 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 174.26 9.81 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -94.56 131.61 40.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.523 ' HB ' HD13 ' A' ' 17' ' ' LEU . 2.3 t -141.75 167.17 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.517 ' H ' HG12 ' A' ' 15' ' ' VAL . 2.3 pm0 -81.02 46.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.626 HD23 ' HA2' ' A' ' 97' ' ' GLY . 0.6 OUTLIER -79.0 161.43 68.5 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.591 0.71 . . . . 0.0 110.948 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 172.21 13.07 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.679 2.253 . . . . 0.0 112.316 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.79 175.22 24.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.56 ' HD3' HG21 ' A' ' 98' ' ' VAL . 54.1 Cg_endo -69.76 130.58 19.59 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.266 . . . . 0.0 112.338 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -54.59 115.28 8.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.517 0.675 . . . . 0.0 111.073 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -178.32 2.29 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 40.95 49.23 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.455 ' CD2' HG21 ' A' ' 103' ' ' VAL . 26.8 tp -76.26 102.02 5.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.77 133.19 45.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.7 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -132.59 133.61 43.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -132.38 137.29 47.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.72 109.45 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.82 -27.93 63.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -150.99 161.64 29.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.683 0.754 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 0.53 5.5 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.319 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.0 p -129.69 -2.58 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.3 p -141.43 174.57 10.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.602 HD11 HG23 ' A' ' 107' ' ' THR . 96.2 mt -151.33 132.17 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.3 m -104.82 98.59 8.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.7 HG13 ' HB2' ' A' ' 26' ' ' ALA . 18.7 t -88.11 137.67 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.1 p -126.38 156.44 40.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.631 ' CG ' HG21 ' A' ' 88' ' ' VAL . 48.2 p90 -163.06 158.13 21.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.556 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 15.6 mm-40 -109.14 165.07 11.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.455 HG23 ' HD2' ' A' ' 41' ' ' PRO . 87.6 m -85.94 133.5 41.15 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.592 0.711 . . . . 0.0 111.13 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.455 ' HD2' HG23 ' A' ' 40' ' ' THR . 54.1 Cg_endo -69.72 109.86 2.41 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.235 . . . . 0.0 112.387 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.457 HG23 ' N ' ' A' ' 43' ' ' SER . 17.8 m -47.42 -41.58 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.157 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.457 ' N ' HG23 ' A' ' 42' ' ' VAL . 18.8 m -70.83 173.21 7.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.28 -166.51 12.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -138.34 128.6 25.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.36 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.17 -149.37 39.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -119.59 148.3 43.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.869 0.366 . . . . 0.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.433 HD12 ' HB1' ' A' ' 90' ' ' ALA . 13.0 mm -72.55 135.32 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -80.69 -46.46 15.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -159.19 165.77 32.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -116.2 117.49 30.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.403 ' HE2' ' CE1' ' A' ' 91' ' ' TYR . 2.1 tppt? -91.38 118.1 30.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.839 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.634 ' O ' HG22 ' A' ' 66' ' ' VAL . 14.6 tp -108.09 122.81 47.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 1.9 m-85 -103.79 156.28 17.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.477 ' CG ' HD13 ' A' ' 75' ' ' ILE . 18.7 p90 -158.61 133.55 8.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -152.43 160.62 43.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.826 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -89.84 133.53 34.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -57.25 98.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 116.7 39.26 0.85 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.478 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.51 -29.21 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 111.14 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.0 t0 65.43 31.82 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -151.0 115.29 5.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -97.22 152.11 19.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.596 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 68.2 mt-30 -116.1 -179.49 3.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -150.06 138.04 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 53' ' ' LEU . 5.0 m -133.8 148.8 30.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -84.66 123.55 30.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.406 HG11 ' HB2' ' A' ' 73' ' ' TYR . 7.4 t -130.09 129.68 65.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.8 m -97.02 -23.26 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -101.94 165.76 11.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -82.69 12.75 4.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.1 p -150.64 118.04 6.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.406 ' HB2' HG11 ' A' ' 68' ' ' VAL . 66.3 t80 -123.91 157.84 33.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.9 m -127.2 121.72 32.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.477 HD13 ' CG ' ' A' ' 55' ' ' TYR . 80.8 mt -99.33 122.39 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -108.39 158.21 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.47 51.05 2.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.0 mt -126.89 167.55 15.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -83.22 160.33 21.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -83.04 136.23 34.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.6 t80 58.69 43.36 18.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.2 m -122.57 136.91 55.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -77.14 149.29 35.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -148.76 127.45 12.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -83.0 138.67 33.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -135.64 138.16 42.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -146.31 131.65 18.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.631 HG21 ' CG ' ' A' ' 38' ' ' TRP . 25.6 t -96.67 142.12 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 84.8 t -133.24 131.3 58.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.433 ' HB1' HD12 ' A' ' 48' ' ' ILE . . . -87.45 131.79 34.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 19.6 m-85 -122.04 117.66 26.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.2 p-10 -134.88 167.4 20.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -39.58 -39.92 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.408 ' CE1' ' HD2' ' A' ' 93' ' ' LYS . 95.6 m-70 -60.83 -67.43 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 166.23 172.85 34.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.571 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.3 Cg_endo -69.75 97.69 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.626 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -65.02 -169.33 2.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.56 HG21 ' HD3' ' A' ' 20' ' ' PRO . 10.9 m -47.11 175.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.4 t -127.38 135.86 51.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.55 157.94 12.56 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.569 0.699 . . . . 0.0 111.133 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 132.86 24.31 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.357 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -38.8 133.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.455 HG21 ' CD2' ' A' ' 24' ' ' LEU . 57.7 t -118.87 83.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -78.34 124.75 28.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.9 p -134.15 144.31 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 106' ' ' ARG . 13.4 ttm105 -93.11 130.79 38.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.602 HG23 HD11 ' A' ' 34' ' ' ILE . 14.3 p -75.36 174.0 10.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 45.2 mt -78.6 150.97 32.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t -98.19 118.89 35.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.831 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -86.8 -59.79 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 t -80.51 132.34 35.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -91.06 143.37 16.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 151.18 68.73 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.63 2.22 . . . . 0.0 112.318 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 52.5 p -116.95 161.89 18.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.7 t -157.86 140.46 14.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 p -132.3 -43.67 0.94 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.892 0.377 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.4 p -50.39 -48.79 55.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.894 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.87 -171.04 14.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.528 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 m -137.34 129.46 29.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.3 m -71.31 162.56 29.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.21 125.47 0.79 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -131.78 108.98 9.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.5 t -116.3 127.07 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -141.76 158.05 44.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.5 m -151.98 144.6 24.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.12 132.05 51.72 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.548 0.689 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -166.31 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.639 2.226 . . . . 0.0 112.347 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.889 ' O ' HD22 ' A' ' 17' ' ' LEU . 1.8 mp0 -118.83 173.16 7.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.5 m -75.86 160.78 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 74.33 42.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.889 HD22 ' O ' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -118.05 158.91 44.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.419 ' HD3' ' ND2' ' A' ' 92' ' ' ASN . 53.8 Cg_endo -69.69 -172.61 0.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.72 2.28 . . . . 0.0 112.382 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -124.22 175.98 16.94 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.569 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.8 Cg_endo -69.8 121.88 8.56 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.678 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -54.09 118.5 15.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 0.0 111.058 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -175.16 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.695 2.264 . . . . 0.0 112.303 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.458 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 28.7 m120 39.4 49.98 1.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.4 tp -83.37 101.29 11.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.76 148.23 36.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.35 127.05 12.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -143.65 151.86 40.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.4 ' CB ' ' HA ' ' A' ' 107' ' ' THR . . . -86.28 105.83 16.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.96 -9.11 58.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.077 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -169.9 161.13 6.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.673 0.749 . . . . 0.0 110.859 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -2.37 10.06 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.0 p -130.36 -4.05 4.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.1 p -135.62 170.59 15.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.653 HD11 HG23 ' A' ' 107' ' ' THR . 37.1 mt -154.07 119.93 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.5 m -90.44 135.89 33.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.8 t -130.75 121.49 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.471 HG22 ' HB2' ' A' ' 72' ' ' SER . 22.3 p -119.23 137.59 53.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.483 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 49.7 p90 -141.6 172.14 13.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.678 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 65.3 mm-40 -119.01 165.01 14.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.4 m -85.88 131.61 46.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.566 0.698 . . . . 0.0 111.174 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 115.47 4.11 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.674 2.249 . . . . 0.0 112.379 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.3 m -58.2 -16.04 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.1 t -98.67 136.53 38.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.87 168.78 16.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -109.21 126.39 53.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.62 -137.34 18.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -135.2 138.68 43.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.0 mm -55.77 144.23 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -102.08 -46.08 4.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -155.01 154.02 31.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -107.03 121.16 43.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.1 tptt -90.8 110.54 21.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.7 tp -104.08 120.83 41.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.532 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 6.0 m-85 -100.41 157.13 16.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -162.06 134.48 5.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -156.61 162.35 39.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 58' ' ' LYS . 26.0 tt0 -91.65 100.63 13.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 57' ' ' GLU . 14.3 tptt -33.68 101.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 128.12 -0.09 6.52 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.72 -27.87 11.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.811 0.339 . . . . 0.0 111.194 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.13 25.08 15.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -121.04 71.61 0.95 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -61.87 145.67 52.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.532 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 45.5 mt-30 -126.44 179.47 5.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 p30 -147.62 139.78 24.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 66' ' ' VAL . 5.4 m -133.94 131.07 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.49 121.45 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 69' ' ' SER . 72.2 t -119.47 155.37 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.451 ' N ' HG12 ' A' ' 68' ' ' VAL . 47.5 t -116.3 -35.81 4.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -89.3 165.35 14.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.483 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 20.0 m80 -69.32 -24.2 63.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.471 ' HB2' HG22 ' A' ' 37' ' ' THR . 28.9 p -124.88 141.0 52.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -138.03 142.7 40.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.7 m -112.35 125.39 54.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 69.0 mt -99.53 134.33 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.65 158.42 24.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.09 56.83 1.99 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.0 mt -128.86 161.88 28.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.871 0.367 . . . . 0.0 110.918 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -73.8 174.5 8.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -104.88 137.77 42.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.581 ' CD1' ' HB2' ' A' ' 109' ' ' SER . 5.2 t80 59.38 44.3 15.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.7 m -130.4 142.63 50.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.129 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -75.53 151.87 37.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -148.45 126.26 11.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 t -86.38 146.29 26.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -143.36 137.41 28.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.413 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 25.9 ptt180 -148.72 133.3 17.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 80.0 t -103.06 145.03 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 41.3 t -136.88 137.12 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.31 132.84 33.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.54 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 16.4 m-85 -122.79 114.24 20.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 94' ' ' HIS . 43.8 p-10 -126.01 155.1 41.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 92' ' ' ASN . 24.2 pttt -35.33 -34.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 92' ' ' ASN . 13.3 m-70 -66.75 -56.61 9.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 158.14 166.04 16.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.54 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.4 Cg_endo -69.81 115.35 4.06 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.301 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.469 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -74.68 -140.35 0.66 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.569 HG21 ' HD3' ' A' ' 20' ' ' PRO . 18.0 m -69.68 -177.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 111.178 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.4 t -135.45 124.94 24.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.1 p -50.54 156.07 1.65 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.089 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 131.16 20.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.363 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -39.08 130.57 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.1 t -116.44 85.17 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.88 132.43 40.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.87 138.81 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -92.82 131.92 37.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.653 HG23 HD11 ' A' ' 34' ' ' ILE . 11.5 p -75.83 172.57 12.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.6 mt -77.57 146.01 36.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.581 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 4.3 t -92.94 126.45 38.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -81.45 121.48 26.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 77.9 p -86.54 -43.48 12.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 130.55 -87.94 0.3 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 176.63 6.53 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 t -157.5 114.99 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.3 m -151.9 144.14 23.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -154.27 175.33 13.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 0.0 110.905 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 t -154.91 169.77 23.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.91 156.14 8.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -106.68 129.47 54.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t -143.2 135.32 27.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.44 158.51 1.24 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -55.93 138.62 48.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.7 t -100.21 132.97 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -138.68 153.14 48.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 92.4 m -129.02 117.22 20.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -40.9 146.48 0.47 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.556 0.693 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 175.55 7.97 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.673 2.249 . . . . 0.0 112.307 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -136.16 170.06 16.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.3 m -104.1 174.7 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 60.02 37.99 20.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.449 HD23 ' HA2' ' A' ' 97' ' ' GLY . 1.3 mp -79.15 160.69 70.38 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.647 0.737 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.489 ' HB3' ' CD1' ' A' ' 48' ' ' ILE . 53.8 Cg_endo -69.76 -176.27 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.71 177.94 16.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 128.71 16.46 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.387 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -58.34 110.22 2.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.733 . . . . 0.0 111.094 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -178.39 2.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.5 m120 43.41 43.95 4.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.529 ' CD2' HG21 ' A' ' 103' ' ' VAL . 27.7 tp -77.12 105.67 8.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -133.78 130.25 37.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.89 140.77 52.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -143.39 137.07 28.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.01 105.9 11.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.088 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.28 -27.08 64.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 m -147.69 160.18 39.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.658 0.742 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -5.05 15.28 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.659 2.239 . . . . 0.0 112.378 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.3 p -124.34 -6.91 7.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.8 m -143.57 153.99 43.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.571 HD11 HG23 ' A' ' 107' ' ' THR . 96.2 mt -130.4 151.38 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.6 m -117.73 99.34 6.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -89.86 131.32 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.62 155.85 40.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.485 ' HB3' HD12 ' A' ' 24' ' ' LEU . 48.6 p90 -162.85 165.2 25.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.417 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 24.8 mm-40 -113.49 165.13 12.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.5 m -85.89 132.67 43.28 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.579 0.704 . . . . 0.0 111.146 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 120.17 7.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.1 m -77.97 -23.71 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.3 t -63.2 -43.21 98.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.35 164.6 1.52 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 46' ' ' GLY . 0.2 OUTLIER -85.54 158.98 20.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.366 . . . . 0.0 110.902 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . 35.7 -132.4 0.7 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.441 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -126.29 143.55 51.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.751 HD13 HD21 ' A' ' 92' ' ' ASN . 26.1 mm -67.24 137.52 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -73.34 -59.67 2.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -136.82 170.24 16.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -126.19 132.78 51.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.479 ' HD2' ' CE1' ' A' ' 91' ' ' TYR . 15.8 tttt -108.96 127.04 53.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.7 tp -118.62 134.58 55.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.957 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.498 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 19.2 m-85 -111.23 161.45 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.407 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 26.5 p90 -159.43 126.69 4.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -150.45 160.68 43.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -87.87 133.31 33.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -55.65 99.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.66 30.08 1.92 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.496 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.14 -31.23 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.778 0.323 . . . . 0.0 111.107 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 63.23 25.31 14.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -149.99 105.02 3.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -104.65 157.53 17.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.498 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 47.8 mt-30 -112.27 -177.46 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.35 130.02 27.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 66' ' ' VAL . 31.0 m -121.5 126.98 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -71.93 119.36 16.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.1 t -126.03 151.85 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.7 p -111.28 -36.42 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.6 m -82.21 173.44 12.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -85.18 -26.35 26.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.6 p -118.12 117.4 29.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -111.31 155.83 22.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 89.6 m -123.54 109.43 13.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.126 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.2 mt -89.61 127.47 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -117.46 150.66 38.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.58 52.51 1.42 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.5 mt -126.87 161.11 29.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -73.05 172.99 10.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -98.47 137.56 36.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.937 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.2 t80 58.54 36.56 25.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.969 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.1 m -118.04 137.91 52.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.117 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -82.42 150.58 27.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -149.07 132.68 16.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.9 t -83.17 138.21 33.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.835 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -134.14 137.17 44.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -145.13 143.73 30.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 71.4 t -111.34 133.68 56.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 88.9 t -121.8 140.8 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -96.82 138.24 34.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.552 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 27.3 m-85 -129.57 122.05 28.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.751 HD21 HD13 ' A' ' 48' ' ' ILE . 27.1 m-20 -130.45 171.95 12.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.54 -41.59 41.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -62.38 -60.01 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 165.52 170.67 30.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.552 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.6 Cg_endo -69.73 113.44 3.37 Favored 'Trans proline' 0 C--O 1.231 0.125 0 C-N-CA 122.71 2.273 . . . . 0.0 112.36 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.449 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -72.54 -139.87 0.33 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.6 m -79.04 179.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 111.123 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.2 t -128.7 136.35 50.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.2 p -60.98 158.71 32.3 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.622 0.725 . . . . 0.0 111.131 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 131.06 20.43 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -38.94 132.37 1.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.529 HG21 ' CD2' ' A' ' 24' ' ' LEU . 71.7 t -118.01 79.75 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.59 135.83 47.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.5 p -144.02 146.13 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -102.37 127.04 49.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.571 HG23 HD11 ' A' ' 34' ' ' ILE . 18.8 p -69.49 178.48 2.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.178 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 25.1 mt -78.6 155.17 29.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.4 t -106.22 127.97 53.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -77.79 82.98 4.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.6 m -100.53 168.1 9.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.63 144.78 7.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -8.6 24.01 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.7 m -149.94 152.47 35.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -40.69 152.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 t -158.63 138.67 12.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 110.863 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.5 t -139.44 107.78 5.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.81 -175.71 25.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.7 m -105.08 149.45 25.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 t -87.85 138.64 31.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.21 98.56 0.19 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -139.52 155.24 47.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.0 m -98.52 170.19 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -114.25 102.12 9.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.6 m -96.97 100.42 11.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -51.99 136.05 37.85 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.579 0.704 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -174.94 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.681 2.254 . . . . 0.0 112.33 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.427 ' HG3' ' NE2' ' A' ' 16' ' ' GLN . 7.4 mm-40 -125.19 -178.46 4.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.0 p -117.98 -18.44 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' NE2' ' HG3' ' A' ' 14' ' ' GLU . 7.9 pm0 -93.0 33.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.672 HD23 ' HA2' ' A' ' 97' ' ' GLY . 2.5 mp -102.45 161.14 24.19 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.613 0.721 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 173.86 10.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.246 . . . . 0.0 112.328 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -107.88 172.11 16.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.535 ' HD3' HG21 ' A' ' 98' ' ' VAL . 54.1 Cg_endo -69.76 122.89 9.56 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.77 107.04 0.72 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 111.047 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -176.02 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.734 2.289 . . . . 0.0 112.346 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.459 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 26.3 m120 39.35 44.5 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 38' ' ' TRP . 19.7 tp -77.28 103.8 7.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -132.35 138.17 47.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.528 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -132.36 133.58 44.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -132.52 132.57 42.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.76 113.98 13.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.71 -27.82 36.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.5 m -146.31 160.61 41.83 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.644 0.735 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -8.6 24.02 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.733 2.289 . . . . 0.0 112.331 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.408 HG22 ' NZ ' ' A' ' 80' ' ' LYS . 20.0 p -125.51 0.94 7.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 m -147.27 149.1 32.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.552 HD11 HG23 ' A' ' 107' ' ' THR . 81.9 mt -130.22 147.56 33.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.3 m -116.53 96.8 5.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.528 HG13 ' HB2' ' A' ' 26' ' ' ALA . 21.0 t -84.13 137.9 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 p -128.0 155.72 43.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.474 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 48.9 p90 -162.04 160.8 27.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.459 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 20.5 mm-40 -107.72 165.12 11.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.421 HG23 ' HD2' ' A' ' 41' ' ' PRO . 76.4 m -85.98 133.05 41.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.63 0.729 . . . . 0.0 111.135 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.421 ' HD2' HG23 ' A' ' 40' ' ' THR . 54.2 Cg_endo -69.73 123.53 10.2 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.713 2.275 . . . . 0.0 112.382 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.4 m -74.18 -13.47 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.8 m -97.63 105.02 17.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.21 158.98 21.61 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -114.71 -39.48 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.45 158.25 26.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.451 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.443 ' C ' ' OD1' ' A' ' 92' ' ' ASN . 13.5 tm-20 -85.49 124.87 32.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.782 0.325 . . . . 0.0 110.924 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.655 HD13 ' OD1' ' A' ' 92' ' ' ASN . 17.0 mm -53.88 105.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -60.42 -38.56 84.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -164.82 153.56 12.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -99.3 118.21 35.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.49 129.29 37.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.937 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.506 ' O ' HG22 ' A' ' 66' ' ' VAL . 21.5 tp -122.7 119.39 30.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.465 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 1.9 m-85 -100.46 157.86 16.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -161.04 128.67 4.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -149.2 161.82 41.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -90.27 129.09 36.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -53.44 100.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.24 34.6 1.44 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 m -121.64 -28.15 4.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.348 . . . . 0.0 111.188 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 64.01 29.08 14.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -147.18 106.66 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -88.94 146.16 25.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.465 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 68.3 mt-30 -113.67 179.2 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.954 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -149.13 133.26 17.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 53' ' ' LEU . 17.5 m -131.56 136.79 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -70.48 127.33 32.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.1 t -131.24 126.66 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 m -105.47 53.49 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -173.74 179.19 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -90.76 -24.07 20.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.7 p -128.38 118.44 23.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -117.28 163.75 15.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.9 m -129.13 117.78 21.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 97.7 mt -99.36 122.33 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -111.11 158.68 18.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.64 48.42 2.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.444 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 47.2 mt -124.43 170.11 11.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.909 0.385 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -82.43 175.43 10.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.408 ' NZ ' HG22 ' A' ' 32' ' ' THR . 0.4 OUTLIER -102.9 142.4 34.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.423 ' CD1' ' HB3' ' A' ' 109' ' ' SER . 3.3 t80 58.91 28.29 17.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.6 m -113.43 137.5 51.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.101 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -80.02 149.29 30.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -145.13 133.74 22.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 t -90.11 138.5 31.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -134.28 135.87 43.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -143.53 137.75 28.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.1 t -111.0 128.6 67.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 85.0 t -121.6 133.12 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.591 ' HB1' HD12 ' A' ' 48' ' ' ILE . . . -87.29 136.82 32.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.529 ' CE1' ' HB3' ' A' ' 96' ' ' PRO . 53.1 m-85 -123.77 108.63 12.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.655 ' OD1' HD13 ' A' ' 48' ' ' ILE . 34.1 m-20 -103.68 158.37 16.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -42.78 -29.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -76.49 -63.56 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 178.12 171.86 41.93 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.529 ' HB3' ' CE1' ' A' ' 91' ' ' TYR . 53.9 Cg_endo -69.73 113.67 3.45 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.672 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -65.52 -115.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.48 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.535 HG21 ' HD3' ' A' ' 20' ' ' PRO . 18.5 m -98.59 -175.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.168 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.8 t -132.84 123.11 25.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.2 156.2 7.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.592 0.711 . . . . 0.0 111.089 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 134.1 27.17 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.367 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -42.61 131.72 3.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.5 t -115.62 82.56 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.11 122.15 23.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.0 p -131.47 145.09 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.5 ttm-85 -102.1 131.75 48.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.552 HG23 HD11 ' A' ' 34' ' ' ILE . 10.6 p -72.7 179.98 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.79 156.82 27.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.423 ' HB3' ' CD1' ' A' ' 81' ' ' TYR . 60.5 p -101.08 119.33 38.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -66.48 158.08 30.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.1 m -120.56 -54.52 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 175.44 -173.97 46.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.527 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 114' ' ' SER . 53.7 Cg_endo -69.77 -25.55 28.42 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 113' ' ' PRO . 48.7 m -35.37 -61.91 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.3 p -60.93 131.9 52.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.438 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 m -152.65 167.68 28.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.379 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -153.38 173.68 15.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.18 147.27 20.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -150.81 147.05 26.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 p -109.47 157.51 18.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.815 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.66 -120.71 2.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -126.53 137.54 53.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.7 t -88.75 138.73 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.153 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -74.44 119.41 18.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.4 t -111.59 136.16 51.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -121.57 145.02 41.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -178.45 2.35 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.323 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -140.46 127.51 20.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.419 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 10.4 p -131.05 130.18 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.077 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 54.43 50.89 15.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.537 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 4.4 mm? -106.3 161.01 24.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.565 0.697 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.526 ' HD2' HD12 ' A' ' 17' ' ' LEU . 53.1 Cg_endo -69.81 168.79 20.61 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.293 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.86 171.35 34.33 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 141.57 45.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.648 2.232 . . . . 0.0 112.3 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.54 111.74 8.3 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.577 0.703 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 23' ' ' ASN . 53.5 Cg_endo -69.81 -177.17 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 22' ' ' PRO . 1.0 OUTLIER 35.31 52.54 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.403 HD12 ' HB3' ' A' ' 38' ' ' TRP . 58.5 tp -84.51 105.18 15.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -116.61 158.72 23.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.463 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -159.0 127.03 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -140.4 149.84 43.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.944 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 107' ' ' THR . . . -84.83 108.45 17.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.123 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.61 -24.67 56.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 m -154.39 160.03 31.34 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.67 0.748 . . . . 0.0 110.839 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 1.51 4.34 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.739 2.293 . . . . 0.0 112.354 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.9 p -131.36 1.28 4.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 p -145.34 172.67 12.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.627 HD11 HG23 ' A' ' 107' ' ' THR . 90.5 mt -151.88 127.72 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.4 m -98.34 133.0 43.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.17 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.463 HG13 ' HB2' ' A' ' 26' ' ' ALA . 11.4 t -127.39 128.2 69.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.3 p -124.39 131.42 53.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.461 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 48.2 p90 -134.45 168.59 18.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -114.43 164.79 13.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.499 HG23 ' HD2' ' A' ' 41' ' ' PRO . 55.1 m -86.29 134.85 37.59 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.575 0.702 . . . . 0.0 111.127 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.499 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.9 Cg_endo -69.73 111.72 2.88 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.709 2.272 . . . . 0.0 112.345 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 43' ' ' SER . 33.7 m -46.79 -46.09 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.099 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.53 ' N ' HG23 ' A' ' 42' ' ' VAL . 1.2 t -75.98 172.68 12.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.08 157.95 7.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.522 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -98.22 83.76 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.351 . . . . 0.0 110.9 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.49 -148.08 17.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -106.08 169.77 8.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.3 mm -98.77 143.33 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -88.95 -56.73 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -148.58 166.76 27.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -114.14 125.73 54.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.418 ' CG ' ' CE1' ' A' ' 54' ' ' TYR . 1.9 tppp? -99.91 131.49 45.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.637 ' O ' HG22 ' A' ' 66' ' ' VAL . 28.8 tp -126.92 116.84 21.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.442 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 2.8 m-85 -99.16 157.6 16.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.512 ' HE1' HG13 ' A' ' 66' ' ' VAL . 10.7 p90 -155.57 137.49 14.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -155.67 161.48 40.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -86.93 129.86 34.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -53.72 91.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.88 40.06 0.5 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.87 -35.04 2.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 111.146 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.6 t70 71.86 25.28 3.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.34 116.31 4.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -110.56 158.91 18.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -114.05 -177.48 3.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.34 129.77 27.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 53' ' ' LEU . 8.8 m -121.59 125.4 73.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.49 118.09 14.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 69' ' ' SER . 88.4 t -122.99 156.14 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.473 ' N ' HG12 ' A' ' 68' ' ' VAL . 87.6 p -113.53 -37.21 4.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.6 m -88.54 161.33 17.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.461 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 72.0 m80 -68.05 -33.25 74.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 97.2 p -112.0 126.84 55.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -125.2 162.93 23.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.971 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 62.6 m -125.98 120.12 29.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.1 mt -102.36 111.2 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -104.29 156.37 17.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.25 44.97 2.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.52 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.1 mt -120.77 170.22 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.896 0.379 . . . . 0.0 110.92 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.5 mtmm -80.96 168.44 18.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -92.12 147.27 23.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.3 t80 43.46 52.45 5.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.037 0.446 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.1 m -133.52 133.0 41.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.164 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -69.23 151.56 46.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -152.24 128.41 10.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -83.15 152.16 25.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -146.36 136.04 23.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.442 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 28.6 ptt180 -147.17 133.6 19.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.0 t -107.17 143.65 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.0 t -132.6 137.6 53.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.57 125.39 35.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 24.3 m-85 -112.91 120.84 42.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -121.34 167.41 12.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -44.12 -33.41 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -73.15 -57.76 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 169.56 -177.45 43.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.556 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.8 Cg_endo -69.76 128.64 16.32 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.369 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.441 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -86.73 -154.28 25.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.443 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.5 m -55.57 -175.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.7 t -143.43 106.94 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.2 p -40.88 154.66 0.21 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.565 0.697 . . . . 0.0 111.165 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 102' ' ' ASP . 53.1 Cg_endo -69.8 130.51 19.41 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 101' ' ' PRO . 1.2 m-20 -34.63 138.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 103' ' ' VAL . 98.5 t -125.06 77.98 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.4 136.25 54.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.1 p -144.48 137.82 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.163 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -92.28 129.92 38.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.627 HG23 HD11 ' A' ' 34' ' ' ILE . 13.5 p -74.1 -177.2 2.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.3 mt -89.06 164.36 15.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 t -109.39 118.86 37.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -92.92 87.93 5.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.0 p -91.73 42.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.63 178.77 18.9 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -22.75 31.7 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 90.5 p -132.22 166.11 22.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.5 t -156.32 139.48 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -152.87 175.41 12.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.955 0.407 . . . . 0.0 110.824 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -112.52 158.05 20.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.53 93.06 0.47 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.0 p -46.7 102.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.2 m -59.61 -56.47 21.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.78 133.18 1.59 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.8 mtm-85 -80.33 94.53 6.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.2 m -82.06 125.66 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -94.58 89.71 5.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 t -140.47 146.61 38.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -114.72 155.57 46.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 166.43 27.68 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.691 2.26 . . . . 0.0 112.328 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -64.67 169.93 4.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.7 t -88.11 -33.58 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.451 ' NE2' ' CD1' ' A' ' 17' ' ' LEU . 4.5 pp0? -81.9 40.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.451 ' CD1' ' NE2' ' A' ' 16' ' ' GLN . 1.1 mp -117.5 162.85 26.47 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.553 0.692 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 164.22 35.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.09 176.75 28.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.602 ' HD3' HG21 ' A' ' 98' ' ' VAL . 54.2 Cg_endo -69.73 121.82 8.51 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.648 2.232 . . . . 0.0 112.399 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -49.99 111.4 2.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.552 0.692 . . . . 0.0 111.099 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 178.34 4.71 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.414 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 25.9 m120 47.05 40.26 9.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.487 HD22 ' HB ' ' A' ' 100' ' ' THR . 52.9 tp -75.44 104.56 6.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.1 mmm-85 -116.34 159.24 22.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.401 ' HB3' HG11 ' A' ' 103' ' ' VAL . . . -155.34 126.76 7.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.559 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 41.5 p90 -143.54 138.57 29.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.53 105.55 10.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.46 -38.85 85.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -140.99 163.5 42.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.668 0.747 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.93 3.99 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.716 2.278 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.0 p -127.72 -18.94 4.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 p -128.34 168.19 15.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.462 HD11 HG23 ' A' ' 107' ' ' THR . 89.4 mt -143.17 137.35 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.559 ' HB ' ' CE1' ' A' ' 27' ' ' TYR . 87.9 m -103.38 137.19 41.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.3 t -133.81 127.19 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.8 p -124.68 131.54 53.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.545 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 45.5 p90 -134.52 167.73 20.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.44 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 50.8 mm-40 -118.93 165.25 14.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.433 HG23 ' HD2' ' A' ' 41' ' ' PRO . 96.5 m -85.73 133.03 42.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 0.0 111.17 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.3 Cg_endo -69.76 112.96 3.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.29 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.1 m -56.42 -26.4 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 t -87.56 95.57 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.824 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -152.9 176.68 30.94 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -113.5 -56.85 2.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -106.1 177.75 22.54 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.522 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -84.84 121.51 27.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.4 mm -47.87 147.97 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -109.72 -53.75 2.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -143.86 151.06 39.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -110.96 116.79 31.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -90.97 118.54 30.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.9 tp -114.48 112.03 22.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -86.59 148.44 25.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.483 ' CG ' HD13 ' A' ' 75' ' ' ILE . 12.0 p90 -149.97 125.85 10.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.945 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -154.36 162.36 41.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 30.7 tt0 -86.13 133.57 33.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.97 99.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.54 42.76 0.94 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.429 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -128.72 -39.39 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.323 . . . . 0.0 111.163 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.3 t70 68.57 27.87 6.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -133.13 62.31 1.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -57.17 142.33 43.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -114.09 -177.64 3.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 1.3 p-10 -149.13 135.46 19.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.465 ' O ' HG23 ' A' ' 66' ' ' VAL . 27.2 m -133.75 121.91 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -68.94 109.06 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 82.6 t -109.31 146.2 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.7 m -102.99 -35.86 8.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.6 p -89.31 155.95 19.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.545 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 31.4 m80 -64.02 -26.4 68.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.5 m -119.67 133.99 55.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.444 ' CG ' ' N ' ' A' ' 74' ' ' THR . 71.7 t80 -126.3 170.18 12.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' A' ' 73' ' ' TYR . 37.6 m -135.03 110.34 9.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.11 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.483 HD13 ' CG ' ' A' ' 55' ' ' TYR . 95.5 mt -93.32 126.85 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -119.57 169.48 10.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.94 56.55 3.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.3 mt -127.2 169.89 12.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -77.1 154.85 32.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -83.33 148.31 27.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.8 t80 47.15 42.72 13.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 83' ' ' GLU . 36.3 m -123.85 154.61 39.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.14 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.423 ' N ' HG22 ' A' ' 82' ' ' THR . 14.4 tt0 -94.25 149.92 20.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 67.1 m-85 -145.69 132.06 19.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.76 152.11 24.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.477 ' HE1' HD12 ' A' ' 75' ' ' ILE . 85.6 m-85 -147.2 134.28 20.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.868 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -150.95 126.23 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 84.4 t -96.01 148.22 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 70.6 t -136.43 140.46 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.98 129.53 34.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.542 ' CE1' ' HB3' ' A' ' 96' ' ' PRO . 33.7 m-85 -127.46 106.88 9.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -128.6 172.31 11.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 94' ' ' HIS . 16.9 ptpt -41.7 -43.18 2.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.472 ' N ' ' HG3' ' A' ' 93' ' ' LYS . 56.7 m-70 -58.98 -67.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 163.46 171.7 30.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.542 ' HB3' ' CE1' ' A' ' 91' ' ' TYR . 53.6 Cg_endo -69.76 110.41 2.55 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.343 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.451 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -73.76 -123.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.602 HG21 ' HD3' ' A' ' 20' ' ' PRO . 13.3 m -89.05 168.75 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 111.135 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.2 t -122.76 116.65 24.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.487 ' HB ' HD22 ' A' ' 24' ' ' LEU . 16.4 p -43.12 155.43 0.28 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.54 0.686 . . . . 0.0 111.16 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 130.6 19.59 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -41.89 134.91 2.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.716 ' O ' HG12 ' A' ' 103' ' ' VAL . 43.8 t -119.52 74.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.32 127.67 32.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.9 p -138.28 141.73 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 35.7 ttp180 -95.7 130.05 42.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.462 HG23 HD11 ' A' ' 34' ' ' ILE . 20.7 p -69.11 178.06 2.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 37.9 mt -79.76 153.06 29.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.1 t -106.35 127.99 53.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -66.76 -58.15 5.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 75.0 m -43.5 153.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.56 80.03 0.51 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -50.02 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.691 2.26 . . . . 0.0 112.35 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.5 m -46.44 -57.52 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 61.6 p -127.14 113.1 15.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -121.51 159.99 25.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.857 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -40.41 152.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.15 97.12 0.37 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -155.88 177.63 11.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 0.0 110.83 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 m -157.61 178.01 10.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.53 144.62 7.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -135.39 158.36 44.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.362 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.6 m -104.48 159.38 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -130.61 136.23 48.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.0 p -74.97 140.48 43.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -172.82 148.44 1.72 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.529 0.68 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -175.19 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.239 . . . . 0.0 112.363 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -112.48 50.0 0.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.932 HG23 HD13 ' A' ' 17' ' ' LEU . 34.5 m -84.26 -173.71 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.143 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.409 ' O ' HD12 ' A' ' 17' ' ' LEU . 41.8 mm-40 -81.27 100.47 9.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.932 HD13 HG23 ' A' ' 15' ' ' VAL . 1.0 OUTLIER -121.71 157.59 56.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.645 0.736 . . . . 0.0 110.866 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HB3' ' ND2' ' A' ' 92' ' ' ASN . 54.1 Cg_endo -69.78 158.87 55.46 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.661 2.241 . . . . 0.0 112.352 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.53 179.51 31.88 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.574 ' HD3' HG21 ' A' ' 98' ' ' VAL . 54.4 Cg_endo -69.73 136.05 32.08 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -65.16 111.99 7.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.583 0.706 . . . . 0.0 111.07 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -179.46 2.94 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.43 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 25.9 m120 45.43 43.32 8.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 38' ' ' TRP . 53.9 tp -80.38 100.52 8.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -109.2 150.66 27.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -147.39 129.57 15.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.076 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -150.69 138.88 20.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.33 102.89 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.068 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.79 -27.64 66.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 p -149.31 158.28 38.48 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.685 0.755 . . . . 0.0 110.829 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 1.03 4.8 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.36 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.4 p -130.04 -7.0 4.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.198 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.14 176.96 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.539 HG21 ' CE2' ' A' ' 86' ' ' PHE . 58.3 mt -155.37 122.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.2 m -98.91 132.43 44.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.3 t -125.42 131.61 72.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.2 p -124.65 146.19 49.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.558 ' CE3' HG21 ' A' ' 88' ' ' VAL . 31.4 p90 -150.67 174.2 13.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.559 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 10.0 mm-40 -123.84 165.52 17.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.534 HG23 ' HD2' ' A' ' 41' ' ' PRO . 55.5 m -85.47 135.77 38.21 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.58 0.705 . . . . 0.0 111.15 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.534 ' HD2' HG23 ' A' ' 40' ' ' THR . 54.4 Cg_endo -69.77 120.41 7.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.381 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 m -66.87 -23.04 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 m -92.15 133.5 35.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.13 -166.92 25.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -138.09 154.39 49.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.898 0.38 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.69 160.76 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.531 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -84.0 133.71 34.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.551 HG21 ' CE1' ' A' ' 51' ' ' TYR . 46.7 mm -48.98 130.53 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -77.35 -44.75 28.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -159.82 164.49 33.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.551 ' CE1' HG21 ' A' ' 48' ' ' ILE . 63.7 m-85 -118.65 123.48 45.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -103.8 122.31 44.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.574 ' O ' HG22 ' A' ' 66' ' ' VAL . 19.3 tp -110.59 130.12 55.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 15.1 m-85 -102.39 158.3 16.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -162.05 128.88 3.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -159.06 161.6 36.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.588 ' HG3' ' CE2' ' A' ' 84' ' ' TYR . 30.9 mt-10 -81.63 144.46 31.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -67.69 107.46 2.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.89 44.49 2.07 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -127.74 -28.35 2.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 0.0 111.104 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 63.34 25.3 14.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -134.95 83.33 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -77.65 150.88 34.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.595 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 41.2 mt-30 -126.32 176.78 6.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -142.58 144.58 32.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 53' ' ' LEU . 34.7 m -133.64 145.5 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.35 120.77 22.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.0 t -140.13 139.14 37.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.24 47.58 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.9 p -154.46 168.24 27.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -91.62 22.64 3.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.6 p -169.26 126.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -138.96 150.13 45.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.1 m -121.89 126.98 49.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.5 mt -106.05 114.09 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -104.35 157.94 16.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.12 50.28 2.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.42 HD12 HG13 ' A' ' 34' ' ' ILE . 39.1 mt -122.76 166.4 15.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -76.65 168.74 19.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -95.19 151.58 19.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.6 t80 45.37 45.53 10.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.5 m -132.69 139.61 47.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -78.8 155.27 29.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.588 ' CE2' ' HG3' ' A' ' 57' ' ' GLU . 41.6 m-85 -150.43 130.22 13.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.2 t -83.58 153.22 24.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.539 ' CE2' HG21 ' A' ' 34' ' ' ILE . 85.9 m-85 -151.27 131.32 13.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.443 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 13.1 ptt180 -149.16 135.11 18.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.558 HG21 ' CE3' ' A' ' 38' ' ' TRP . 95.0 t -106.22 147.0 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.6 t -123.95 135.36 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.08 145.26 26.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.056 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.454 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 24.0 m-85 -129.85 142.56 50.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 18' ' ' PRO . 20.2 m-20 -148.02 155.6 41.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -38.57 -37.21 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -69.16 -62.85 1.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.837 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 174.33 169.3 36.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.454 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.5 Cg_endo -69.72 112.49 3.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 0.0 112.355 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -73.3 -157.25 4.18 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.574 HG21 ' HD3' ' A' ' 20' ' ' PRO . 21.8 m -57.99 -175.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.133 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.7 t -138.67 146.2 41.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 49.2 p -64.75 152.7 89.63 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.525 0.678 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 102' ' ' ASP . 53.8 Cg_endo -69.75 131.52 21.41 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.382 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 101' ' ' PRO . 13.0 m-20 -34.94 134.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.557 ' O ' HG12 ' A' ' 103' ' ' VAL . 57.2 t -120.31 80.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.19 137.68 43.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.8 p -145.7 144.94 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -93.94 135.19 35.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.512 HG23 HD11 ' A' ' 34' ' ' ILE . 3.3 p -78.36 163.3 25.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.0 mt -66.69 136.74 55.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.3 p -71.06 150.8 45.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -107.13 -55.0 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 112' ' ' GLY . 34.0 t -80.99 -59.21 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 111' ' ' SER . . . -34.34 97.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 111' ' ' SER . 54.3 Cg_endo -69.72 -179.75 3.11 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.5 t -75.76 83.92 2.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 58.6 m -78.08 -59.88 2.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.54 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.1 p -96.8 155.7 16.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 0.0 110.885 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 p -170.61 176.61 4.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.2 -169.56 32.65 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -141.67 171.28 14.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 m -101.64 136.88 40.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.62 132.28 1.54 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -134.93 151.14 50.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.381 . . . . 0.0 110.836 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.9 t -110.92 136.26 47.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.48 148.76 50.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.2 p -92.63 171.23 9.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -117.01 143.45 31.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.57 0.7 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -168.14 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 0.0 112.336 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.64 125.39 23.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.52 HG11 HD22 ' A' ' 17' ' ' LEU . 96.3 t -151.05 144.76 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.442 ' O ' HD12 ' A' ' 17' ' ' LEU . 83.3 mt-30 -79.6 48.95 0.97 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.797 HD23 ' HA2' ' A' ' 97' ' ' GLY . 2.4 mp -121.31 162.55 35.25 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.639 0.733 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 157.8 59.22 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.87 177.5 31.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 136.46 33.06 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.676 2.251 . . . . 0.0 112.34 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -61.16 118.61 37.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.559 0.695 . . . . 0.0 111.111 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 23' ' ' ASN . 53.5 Cg_endo -69.78 -175.32 1.12 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.691 2.26 . . . . 0.0 112.372 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 22' ' ' PRO . 1.0 OUTLIER 34.27 46.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.0 tp -79.47 101.93 8.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -112.59 155.44 24.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.72 128.84 11.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -147.41 148.44 31.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.94 112.86 23.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.086 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.32 -40.27 58.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -135.92 161.56 61.96 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.624 0.726 . . . . 0.0 110.877 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 1.84 4.08 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.644 2.229 . . . . 0.0 112.319 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.0 p -132.86 0.83 3.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.422 ' C ' HG13 ' A' ' 34' ' ' ILE . 3.4 p -142.79 173.31 11.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.753 HD11 HG23 ' A' ' 107' ' ' THR . 97.2 mt -151.92 127.45 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.8 m -99.99 129.85 46.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.3 t -121.43 133.25 68.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 62.2 p -128.21 130.52 48.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 49.0 p90 -133.58 173.44 11.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.435 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 35.1 mm-40 -121.95 165.0 16.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.0 m -85.98 131.95 45.27 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.571 0.7 . . . . 0.0 111.166 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 109.16 2.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.304 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.8 m -46.74 -30.04 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.4 m -80.96 161.16 24.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 143.91 -176.88 22.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -120.35 -48.82 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -123.46 166.14 16.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -62.17 134.24 56.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.8 mm -62.57 124.09 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -71.63 -57.81 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -151.53 150.47 30.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -93.13 118.71 31.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.559 ' HG3' ' CE1' ' A' ' 54' ' ' TYR . 10.0 tptm -92.83 102.54 14.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.6 tp -99.25 133.12 44.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 52' ' ' LYS . 2.0 m-85 -113.01 161.82 16.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -162.13 142.5 10.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.934 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -158.74 162.02 37.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.552 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 63.9 tt0 -95.95 105.6 17.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 57' ' ' GLU . 1.3 tppt? -29.56 101.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.14 -38.16 1.94 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -30.75 40.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.728 0.299 . . . . 0.0 111.133 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 67.81 24.95 8.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -156.02 120.7 4.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.9 pm0 -101.21 153.58 19.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -109.78 -174.3 2.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -141.36 133.1 27.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 66' ' ' VAL . 13.2 m -130.54 129.34 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -69.16 129.95 41.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.3 t -143.3 137.59 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.6 m -123.19 46.88 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.7 m -159.09 162.82 36.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -89.77 31.12 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.2 p -171.84 126.61 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -139.86 159.98 40.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.936 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 56.2 m -131.08 119.78 22.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 85.7 mt -102.38 105.6 18.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -98.02 163.58 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.8 50.5 3.5 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.504 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 49.5 mt -122.49 168.77 11.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.882 0.372 . . . . 0.0 110.958 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -75.77 158.47 32.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -86.35 139.72 30.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 21.0 t80 53.39 51.4 15.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.1 m -135.21 141.55 45.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.107 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.513 ' HG2' ' HB1' ' A' ' 104' ' ' ALA . 4.0 tt0 -81.2 151.51 28.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.552 ' CE2' ' HB2' ' A' ' 57' ' ' GLU . 39.1 m-85 -145.9 129.33 16.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.943 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 t -83.6 142.44 30.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -137.77 138.12 38.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -150.18 133.45 16.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 96.9 t -102.74 137.5 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 54.8 t -124.48 131.87 72.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -88.92 119.76 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.076 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.579 ' CE1' ' HB3' ' A' ' 96' ' ' PRO . 31.6 m-85 -112.41 114.23 26.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -124.78 170.15 11.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 94' ' ' HIS . 19.6 ptmt -43.2 -48.25 6.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.409 ' N ' ' HG3' ' A' ' 93' ' ' LYS . 94.8 m-70 -56.16 -57.81 10.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 156.71 173.1 24.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.448 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.579 ' HB3' ' CE1' ' A' ' 91' ' ' TYR . 53.5 Cg_endo -69.82 107.82 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 0.0 112.296 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.797 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -64.43 -113.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.5 m -104.46 179.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 111.086 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.3 t -126.92 129.3 47.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.9 p -55.63 157.8 6.98 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.544 0.688 . . . . 0.0 111.164 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 102' ' ' ASP . 54.1 Cg_endo -69.77 130.98 20.27 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.637 2.225 . . . . 0.0 112.378 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 101' ' ' PRO . 3.3 m-20 -37.26 129.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.683 ' O ' HG12 ' A' ' 103' ' ' VAL . 55.7 t -118.42 73.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.513 ' HB1' ' HG2' ' A' ' 83' ' ' GLU . . . -64.42 140.09 58.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.6 p -144.48 139.11 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 47.2 ttm-85 -91.34 133.69 35.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.753 HG23 HD11 ' A' ' 34' ' ' ILE . 1.6 p -79.56 164.78 23.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 64.7 mt -69.48 141.06 54.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.2 t -94.43 126.63 39.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -69.74 86.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.8 t -109.34 70.07 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 164.21 84.76 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.453 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 2.65 3.33 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.707 2.271 . . . . 0.0 112.332 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t 71.48 44.6 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.5 t -145.76 158.35 43.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.442 179.946 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.0 m -138.61 175.58 9.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.881 0.372 . . . . 0.0 110.862 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -82.4 117.7 22.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.828 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.63 40.27 0.2 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.3 t -111.82 47.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.887 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 p 49.05 42.24 20.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.37 -52.16 6.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -62.46 85.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.6 m -101.86 172.84 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -159.83 146.21 16.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.1 m -77.16 94.93 4.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -85.82 147.92 47.15 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.628 0.728 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 168.53 21.3 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.712 2.274 . . . . 0.0 112.353 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -118.38 137.14 53.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.8 t -116.45 -64.1 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.89 37.19 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.531 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 4.6 mm? -100.16 159.88 28.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.617 0.723 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.592 ' HG2' ' HB3' ' A' ' 90' ' ' ALA . 53.8 Cg_endo -69.76 174.98 8.72 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.714 2.276 . . . . 0.0 112.327 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.01 170.56 20.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.947 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.6 Cg_endo -69.75 113.03 3.24 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.683 2.256 . . . . 0.0 112.322 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -42.87 111.91 1.08 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.527 0.679 . . . . 0.0 111.059 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' ASN . 54.1 Cg_endo -69.78 -174.2 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.704 2.269 . . . . 0.0 112.299 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.472 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER 34.4 51.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.441 HD22 ' HB ' ' A' ' 100' ' ' THR . 19.6 tp -84.76 104.19 14.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.2 mmm-85 -114.18 168.03 10.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -165.51 127.51 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.066 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -141.66 143.91 33.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.84 106.49 15.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.117 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.25 -36.91 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -143.17 162.14 44.49 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.65 0.738 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 1.67 4.22 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.737 2.291 . . . . 0.0 112.341 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.8 p -125.63 -20.72 4.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 p -126.95 171.44 11.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.809 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.499 HD11 HG23 ' A' ' 107' ' ' THR . 93.9 mt -147.97 126.36 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.9 m -94.26 126.57 39.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.1 t -124.09 135.53 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.432 HG22 ' CB ' ' A' ' 72' ' ' SER . 37.5 p -131.08 140.03 49.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.09 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 49.3 p90 -142.31 165.28 27.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.478 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 25.2 mm-40 -109.35 163.65 13.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.8 m -86.75 132.07 43.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 111.107 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 115.46 4.11 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.653 2.235 . . . . 0.0 112.356 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.503 HG23 ' N ' ' A' ' 43' ' ' SER . 19.4 m -61.05 -44.02 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.503 ' N ' HG23 ' A' ' 42' ' ' VAL . 59.7 p -78.47 144.67 35.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.46 165.06 13.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.528 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -47.7 -49.7 27.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.83 -149.39 19.72 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.421 ' HB2' ' NZ ' ' A' ' 93' ' ' LYS . 31.0 mt-10 43.16 43.69 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.8 mm -53.05 129.43 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.44 ' NE2' ' HB3' ' A' ' 93' ' ' LYS . 55.6 mt-30 -80.18 -45.81 17.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -156.76 140.95 16.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -93.61 130.0 39.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HA ' ' CE ' ' A' ' 52' ' ' LYS . 1.1 tpmt? -100.62 122.46 43.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.3 tp -116.37 127.3 54.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.472 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 1.1 m-85 -108.33 161.25 15.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.498 ' HE1' HG13 ' A' ' 66' ' ' VAL . 33.1 p90 -162.1 139.29 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.481 ' HB3' ' CB ' ' A' ' 63' ' ' GLU . 2.2 ptt? -159.03 161.87 36.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.443 ' HG3' ' CG2' ' A' ' 82' ' ' THR . 20.7 tt0 -85.35 132.14 34.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -55.6 97.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.67 42.3 0.74 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -133.16 -34.28 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.329 . . . . 0.0 111.124 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.6 t0 68.12 25.02 7.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -149.66 107.34 3.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.481 ' CB ' ' HB3' ' A' ' 56' ' ' MET . 2.9 pt-20 -106.61 158.63 16.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.448 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 61.5 mt-30 -106.42 172.92 6.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -128.8 127.92 42.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.498 HG13 ' HE1' ' A' ' 55' ' ' TYR . 27.2 m -126.52 129.54 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.69 117.64 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.4 t -118.81 132.3 69.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.0 m -116.24 51.36 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.0 m -166.45 -178.6 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -85.61 -33.73 21.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.432 ' CB ' HG22 ' A' ' 37' ' ' THR . 94.7 p -123.2 142.53 50.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.821 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -135.93 159.68 40.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 65.9 m -125.13 113.7 18.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 93.7 mt -96.91 107.38 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -101.5 173.02 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.1 47.73 6.88 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.465 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.9 mt -125.08 159.48 31.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.923 0.392 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -69.13 171.03 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.22 147.02 27.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.4 t80 56.05 41.64 29.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.443 ' CG2' ' HG3' ' A' ' 57' ' ' GLU . 36.7 m -131.33 136.84 48.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -79.7 153.56 29.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.422 ' CE2' HG22 ' A' ' 82' ' ' THR . 81.8 m-85 -152.08 133.29 14.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.964 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t -83.9 152.57 24.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -145.42 139.21 26.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.401 ' CD ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -150.99 141.3 22.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 85.7 t -110.8 135.2 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.401 HG23 ' CD ' ' A' ' 87' ' ' ARG . 77.2 t -127.23 135.24 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.592 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -87.23 128.65 35.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 33.7 m-85 -120.86 114.41 21.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.429 ' O ' ' N ' ' A' ' 94' ' ' HIS . 34.5 p-10 -116.57 162.15 18.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.44 ' HB3' ' NE2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -39.41 -28.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 92' ' ' ASN . 50.3 m-70 -73.39 -64.35 1.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.817 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 171.8 -174.27 45.18 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.551 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.0 Cg_endo -69.72 127.57 14.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.258 . . . . 0.0 112.341 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.484 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -95.05 -157.33 32.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.486 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.947 HG21 ' HD3' ' A' ' 20' ' ' PRO . 20.5 m -50.71 175.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 111.153 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -132.81 118.07 18.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.441 ' HB ' HD22 ' A' ' 24' ' ' LEU . 1.1 p -56.9 158.46 8.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.629 0.728 . . . . 0.0 111.096 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 132.25 22.84 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.351 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -46.21 145.57 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.1 t -129.5 80.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.14 135.44 49.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.2 p -144.96 145.27 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -99.51 132.37 44.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.499 HG23 HD11 ' A' ' 34' ' ' ILE . 15.3 p -75.99 162.03 28.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 59.2 mt -64.74 152.13 43.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 60.5 p -95.8 114.37 26.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -111.11 -43.8 3.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.6 t -74.08 -50.06 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -39.39 160.07 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 127.25 14.34 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.682 2.254 . . . . 0.0 112.339 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 80.8 p -70.39 -35.83 73.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.4 m 60.01 44.5 13.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.433 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.1 p -135.8 174.95 10.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.8 p -171.15 162.27 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.42 178.09 36.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 m -136.74 175.35 9.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.839 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.3 p -109.46 -56.75 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.47 104.13 0.78 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -174.39 157.31 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.452 ' C ' ' CD ' ' A' ' 10' ' ' GLU . 3.7 m -115.62 23.86 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.452 ' CD ' ' C ' ' A' ' 9' ' ' VAL . 3.3 pm0 40.07 53.11 2.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.0 p -107.04 149.74 27.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -166.93 135.1 2.14 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.566 0.698 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 168.93 20.1 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.699 2.266 . . . . 0.0 112.369 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -46.66 150.75 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.768 HG21 HD22 ' A' ' 17' ' ' LEU . 7.6 p -159.71 145.25 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.406 ' O ' HD12 ' A' ' 17' ' ' LEU . 12.7 pt20 -93.57 64.66 3.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.768 HD22 HG21 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -122.36 161.92 40.69 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.627 0.727 . . . . 0.0 110.881 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.46 18.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.292 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.11 173.89 20.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.563 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.2 Cg_endo -69.83 123.65 10.29 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.665 2.243 . . . . 0.0 112.34 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -51.01 110.88 1.95 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.555 0.693 . . . . 0.0 111.116 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 179.95 3.33 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.1 m120 43.14 48.07 5.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 38' ' ' TRP . 21.9 tp -78.78 107.05 11.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.94 139.29 48.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -137.08 131.18 32.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -128.38 129.77 46.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.74 104.18 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.27 -43.54 98.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.04 164.17 41.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.64 0.733 . . . . 0.0 110.866 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 3.22 2.85 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.9 p -126.56 -19.4 4.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.431 ' C ' HG13 ' A' ' 34' ' ' ILE . 87.5 p -126.83 174.36 8.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.724 HD11 HG23 ' A' ' 107' ' ' THR . 87.9 mt -152.71 127.63 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.099 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.7 m -100.59 109.42 21.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.462 HG13 ' HB2' ' A' ' 26' ' ' ALA . 49.7 t -98.53 143.34 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.179 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 p -132.48 161.69 33.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.466 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 48.4 p90 -164.34 157.33 17.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.431 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 3.1 mm-40 -106.93 165.32 11.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.0 m -85.65 129.8 53.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.633 0.73 . . . . 0.0 111.111 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 110.98 2.68 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.394 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.7 m -46.8 -24.36 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.3 m -97.89 72.31 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -123.04 113.11 2.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.553 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 27.3 m-80 -59.68 117.72 5.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.16 -119.12 5.53 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -142.16 150.1 40.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.689 HG21 ' CZ ' ' A' ' 51' ' ' TYR . 49.2 mm -83.25 127.73 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.144 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -87.83 -57.46 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -147.12 159.58 43.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.689 ' CZ ' HG21 ' A' ' 48' ' ' ILE . 55.7 m-85 -113.73 141.65 47.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -110.91 112.17 23.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.704 ' O ' HG22 ' A' ' 66' ' ' VAL . 22.2 tp -100.09 130.29 46.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 1.3 m-85 -108.17 162.35 14.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -162.14 128.61 3.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -153.04 161.5 42.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -88.13 135.36 33.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 95.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.29 40.7 0.67 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.466 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.05 -25.86 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.185 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 64.1 26.15 13.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -146.21 112.22 5.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -96.72 146.9 24.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.452 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 12.3 mm-40 -112.48 179.54 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -145.09 139.9 27.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 53' ' ' LEU . 27.2 m -134.19 137.48 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.9 115.82 17.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.501 HG22 ' CD1' ' A' ' 73' ' ' TYR . 85.9 t -119.32 125.72 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.5 m -102.78 51.16 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -172.93 173.72 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.44 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 17.6 m170 -72.67 -28.55 62.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 t -129.21 151.59 49.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.501 ' CD1' HG22 ' A' ' 68' ' ' VAL . 74.8 t80 -138.35 170.86 15.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.446 ' N ' ' CG ' ' A' ' 73' ' ' TYR . 96.6 m -134.37 117.04 15.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.163 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 62.0 mt -101.72 115.45 43.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -106.02 157.51 17.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.66 53.98 2.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.533 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.8 mt -123.61 173.2 8.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.878 0.37 . . . . 0.0 110.917 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -79.85 150.2 30.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -78.18 143.79 36.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 18.2 t80 47.88 43.82 17.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.4 m -127.95 139.37 52.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -79.05 149.16 32.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -145.38 130.89 18.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -83.16 140.3 32.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -136.7 140.98 43.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -148.02 160.63 42.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 77.3 t -128.93 140.08 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.077 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 90.4 t -128.91 135.4 62.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.36 136.51 32.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 96' ' ' PRO . 29.8 m-85 -128.81 111.75 13.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 93' ' ' LYS . 51.5 p30 -132.42 165.06 25.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 92' ' ' ASN . 36.0 pttt -35.08 -48.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.553 ' CE1' ' HB3' ' A' ' 45' ' ' ASN . 15.9 m-70 -52.62 -67.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 165.04 176.0 36.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.561 ' HB3' ' CE1' ' A' ' 91' ' ' TYR . 53.3 Cg_endo -69.82 113.21 3.31 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.695 2.263 . . . . 0.0 112.312 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -83.39 -167.62 41.98 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.445 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.563 HG21 ' HD3' ' A' ' 20' ' ' PRO . 33.8 m -50.95 178.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.877 0.37 . . . . 0.0 111.128 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.6 t -132.67 135.82 46.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.7 p -57.52 158.04 12.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.708 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 102' ' ' ASP . 54.3 Cg_endo -69.75 131.93 22.29 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 2.265 . . . . 0.0 112.348 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 101' ' ' PRO . 4.9 m-20 -36.26 136.75 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.488 ' O ' HG12 ' A' ' 103' ' ' VAL . 87.3 t -123.0 78.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.96 133.61 46.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.5 p -138.03 144.17 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -97.67 128.41 44.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.724 HG23 HD11 ' A' ' 34' ' ' ILE . 2.7 p -73.17 155.12 39.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 27.4 mt -55.25 148.68 14.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 88.0 p -97.74 115.34 27.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.841 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -48.03 136.58 11.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.1 t -46.88 137.07 7.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.79 -166.51 29.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 93.64 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.1 t -102.71 114.09 28.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 84.8 p -124.02 -44.27 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 t -149.53 171.46 16.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 0.0 110.876 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -138.72 174.47 10.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.43 143.83 15.61 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.529 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 p -86.84 -48.44 8.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.849 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.6 m 59.77 44.83 13.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.4 174.92 0.76 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.45 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -162.94 164.72 25.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -56.05 173.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -137.71 110.36 7.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.5 m -131.05 121.69 25.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -71.12 138.85 84.72 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.583 0.706 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -170.26 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -65.87 173.5 2.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.4 m -101.46 -29.81 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -80.75 65.03 5.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.554 HD12 ' HD2' ' A' ' 18' ' ' PRO . 4.4 mm? -118.62 161.2 36.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.542 0.687 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.554 ' HD2' HD12 ' A' ' 17' ' ' LEU . 53.7 Cg_endo -69.7 170.63 16.06 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.64 170.66 31.15 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.578 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.5 Cg_endo -69.77 124.34 10.99 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.87 110.1 1.61 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.61 0.719 . . . . 0.0 111.144 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -178.14 2.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.641 2.227 . . . . 0.0 112.338 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.426 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 27.3 m120 40.49 47.24 2.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.5 tp -84.16 104.89 14.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.1 mmm-85 -113.72 170.16 8.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -164.75 126.96 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.105 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.4 ' CE2' ' HB ' ' A' ' 35' ' ' THR . 18.2 p90 -144.36 145.19 31.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.67 105.6 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.088 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.5 -43.43 73.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -131.55 161.69 60.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.678 0.751 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 0.26 5.89 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.709 2.273 . . . . 0.0 112.359 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.8 p -132.28 3.64 3.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.15 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.407 ' C ' HG13 ' A' ' 34' ' ' ILE . 3.5 p -143.63 176.12 9.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.61 HD11 ' CG2' ' A' ' 107' ' ' THR . 80.2 mt -153.79 134.4 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.4 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 42.4 m -105.58 126.27 51.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.3 t -122.17 126.11 73.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.453 HG22 ' HB3' ' A' ' 72' ' ' SER . 68.0 p -120.69 134.9 55.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.539 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 49.0 p90 -137.71 168.36 19.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 3.6 mm-40 -115.15 164.71 13.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.606 HG23 ' HD2' ' A' ' 41' ' ' PRO . 98.0 m -87.46 137.17 32.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.578 0.704 . . . . 0.0 111.124 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.77 112.63 3.13 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.256 . . . . 0.0 112.319 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.5 m -51.07 -27.22 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.5 m -95.9 167.26 11.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.03 138.17 4.02 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -92.5 100.73 13.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.33 157.75 22.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -72.69 136.17 45.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.6 mm -64.21 139.03 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -86.4 -60.54 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -150.62 161.59 42.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -104.91 123.06 47.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.476 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 0.6 OUTLIER -96.84 111.5 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.486 ' O ' HG22 ' A' ' 66' ' ' VAL . 28.5 tp -102.57 121.92 43.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.476 ' CE1' ' HG2' ' A' ' 52' ' ' LYS . 6.9 m-85 -101.34 155.87 17.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.434 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 22.3 p90 -159.72 135.9 8.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.922 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -156.97 161.12 39.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -89.74 134.14 34.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -56.49 94.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.86 40.04 0.67 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.535 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 m -126.24 -26.07 3.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.767 0.318 . . . . 0.0 111.132 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.28 25.58 15.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -147.83 105.3 3.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -95.24 151.72 18.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -113.43 176.66 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -141.89 132.59 25.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 53' ' ' LEU . 29.6 m -129.35 137.77 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.9 116.31 21.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 70' ' ' SER . 59.0 t -119.22 125.89 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.3 p -81.85 -37.92 26.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.416 ' O ' HG12 ' A' ' 68' ' ' VAL . 15.9 p -83.98 168.59 15.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.539 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 35.3 m80 -76.33 -25.52 54.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.453 ' HB3' HG22 ' A' ' 37' ' ' THR . 70.9 p -122.63 135.49 54.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -127.71 155.63 43.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.956 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.413 HG22 HD21 ' A' ' 76' ' ' ASN . 31.8 m -118.7 106.35 12.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.162 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.1 mt -89.2 120.98 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.413 HD21 HG22 ' A' ' 74' ' ' THR . 6.3 m-80 -114.27 169.87 8.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.73 46.88 6.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.435 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.43 HD12 HG13 ' A' ' 34' ' ' ILE . 47.1 mt -118.71 163.59 16.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.908 0.385 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -74.5 165.19 25.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.413 ' CD ' ' HB3' ' A' ' 110' ' ' ASP . 6.3 mtmm -94.97 135.85 36.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.1 t80 62.55 45.71 6.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.0 m -132.83 142.33 48.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.171 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.513 ' OE2' ' HB1' ' A' ' 104' ' ' ALA . 20.7 tt0 -84.24 154.22 23.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -151.57 129.06 11.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.55 141.01 31.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.881 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.434 ' CE1' ' HB2' ' A' ' 55' ' ' TYR . 86.9 m-85 -135.02 137.86 43.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.438 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 9.2 ptt180 -147.96 139.5 23.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.1 t -107.26 144.48 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.5 t -134.07 132.63 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.99 127.64 35.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 31.1 m-85 -118.81 110.96 17.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.9 p30 -113.21 178.36 4.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.556 ' HD2' ' CE1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -48.43 -37.94 18.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.556 ' CE1' ' HD2' ' A' ' 93' ' ' LYS . 74.9 m-70 -64.86 -70.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.526 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 175.54 -169.53 42.32 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.514 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.556 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.3 Cg_endo -69.82 121.83 8.5 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.432 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -86.09 -155.51 26.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.578 HG21 ' HD3' ' A' ' 20' ' ' PRO . 17.3 m -58.7 173.22 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.8 t -124.76 118.23 25.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.1 p -51.8 159.0 1.44 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.558 0.694 . . . . 0.0 111.131 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 130.73 19.85 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.665 2.243 . . . . 0.0 112.335 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -42.27 137.19 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.463 ' O ' HG12 ' A' ' 103' ' ' VAL . 79.7 t -123.32 80.32 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.513 ' HB1' ' OE2' ' A' ' 83' ' ' GLU . . . -72.92 130.99 41.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.8 p -137.97 145.92 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.9 ttm-85 -98.6 126.65 44.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.61 ' CG2' HD11 ' A' ' 34' ' ' ILE . 44.3 p -74.54 163.84 27.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.5 mt -69.12 145.67 53.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.9 t -100.17 129.88 46.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.413 ' HB3' ' CD ' ' A' ' 80' ' ' LYS . 0.9 OUTLIER -69.54 -47.53 63.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.401 ' N ' ' CG ' ' A' ' 110' ' ' ASP . 23.2 t -97.81 91.58 5.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -154.95 87.63 0.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.452 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 114' ' ' SER . 54.0 Cg_endo -69.75 3.02 3.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.701 2.267 . . . . 0.0 112.358 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 113' ' ' PRO . 6.1 t -33.83 111.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.6 t -123.0 120.03 32.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -56.15 108.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.874 0.368 . . . . 0.0 110.864 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -166.73 170.31 12.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -147.4 40.52 0.99 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.478 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 4' ' ' GLY . 5.6 m -34.5 108.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.867 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -140.85 168.33 20.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.12 45.39 5.04 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -95.3 103.19 15.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.5 t -138.15 105.51 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -123.75 95.34 4.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.5 m -101.6 124.38 47.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.4 mp0 -67.97 159.7 78.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.577 0.703 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 176.25 6.99 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -122.93 102.42 8.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.728 HG13 HD13 ' A' ' 17' ' ' LEU . 15.0 p -166.22 165.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.595 ' N ' HG22 ' A' ' 15' ' ' VAL . 6.4 mp0 -49.19 104.29 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.728 HD13 HG13 ' A' ' 15' ' ' VAL . 1.1 mp -128.37 162.6 49.69 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.581 0.705 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HD3' ' ND2' ' A' ' 92' ' ' ASN . 54.1 Cg_endo -69.79 178.52 4.5 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.315 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.1 170.23 13.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.66 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.7 Cg_endo -69.75 118.47 5.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.63 108.23 0.86 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.585 0.707 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -179.07 2.68 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.313 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.479 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER 40.83 44.18 1.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' A' ' 38' ' ' TRP . 51.7 tp -77.12 103.84 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -107.69 159.97 16.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.2 126.85 7.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -145.68 148.86 33.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.34 112.67 21.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.068 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.42 -12.82 57.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.051 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.674 ' HA ' HD12 ' A' ' 108' ' ' LEU . 0.6 OUTLIER -169.69 156.51 6.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.649 0.738 . . . . 0.0 110.864 -179.776 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 5.1 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.737 2.292 . . . . 0.0 112.309 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.4 p -127.41 -10.75 5.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 p -139.62 177.19 8.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.723 HD11 ' CG2' ' A' ' 107' ' ' THR . 89.1 mt -152.61 116.79 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.5 m -87.97 133.99 33.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.9 t -129.09 132.49 67.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.454 HG22 ' CB ' ' A' ' 72' ' ' SER . 59.8 p -125.55 135.09 51.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.546 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 43.6 p90 -134.55 164.33 27.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.479 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 29.0 mt-10 -111.24 165.0 12.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.8 m -86.01 130.61 49.61 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.542 0.687 . . . . 0.0 111.168 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 110.25 2.5 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.547 HG23 ' N ' ' A' ' 43' ' ' SER . 25.0 m -47.91 -46.59 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.547 ' N ' HG23 ' A' ' 42' ' ' VAL . 14.4 t -82.93 92.81 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -155.44 127.71 2.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.538 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -73.12 126.3 29.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.6 157.59 0.25 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -72.55 135.25 45.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.871 0.367 . . . . 0.0 110.855 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.1 mm -59.41 128.51 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -78.11 -49.98 12.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -151.91 162.52 40.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -116.61 139.06 50.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.478 ' HD2' ' CE1' ' A' ' 91' ' ' TYR . 7.5 tttp -116.21 114.2 24.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.561 ' O ' HG22 ' A' ' 66' ' ' VAL . 21.8 tp -103.1 131.42 50.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.453 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 4.3 m-85 -105.01 161.42 14.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -161.95 133.17 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -154.1 160.46 41.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.44 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 20.0 tt0 -85.31 138.34 32.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -60.86 103.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.91 43.82 1.37 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.532 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -127.64 -38.36 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 111.177 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.7 t70 73.88 28.81 1.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -154.41 110.52 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -108.55 156.35 19.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -115.21 -175.68 2.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.6 p30 -140.44 139.35 35.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.822 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 53' ' ' LEU . 33.5 m -127.93 134.75 64.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -76.85 102.64 6.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.44 HG23 HG23 ' A' ' 66' ' ' VAL . 72.5 t -104.57 149.3 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.1 p -113.36 -30.94 6.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.1 m -100.33 150.96 22.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.546 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 39.1 m80 -54.92 -43.37 73.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.454 ' CB ' HG22 ' A' ' 37' ' ' THR . 97.0 p -99.66 132.63 44.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -135.92 142.61 44.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.6 m -110.04 109.87 20.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.469 HD11 HD21 ' A' ' 53' ' ' LEU . 64.7 mt -87.21 110.94 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -96.83 168.86 10.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.89 62.35 2.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.501 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 60.3 mt -128.87 173.09 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.33 162.55 21.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.926 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.2 mttm -90.3 141.52 28.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 27.5 t80 47.81 45.86 18.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -130.42 132.31 45.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -74.73 148.82 40.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.44 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 49.5 m-85 -145.77 135.27 23.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.9 t -84.05 151.7 24.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.567 ' CE2' HG21 ' A' ' 34' ' ' ILE . 75.0 m-85 -146.15 139.43 25.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.453 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 6.5 ptp180 -151.1 136.74 17.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.8 t -102.98 137.36 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.4 t -124.75 134.45 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.76 139.58 30.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.478 ' CE1' ' HD2' ' A' ' 52' ' ' LYS . 30.4 m-85 -129.95 111.07 12.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 93' ' ' LYS . 52.0 p-10 -123.29 161.12 25.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 92' ' ' ASN . 14.3 ptmt -34.25 -46.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -57.88 -65.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.74 175.89 38.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 108.81 2.18 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.482 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -73.11 -164.1 8.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.66 HG21 ' HD3' ' A' ' 20' ' ' PRO . 17.3 m -48.48 178.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 111.098 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.7 t -130.86 131.62 44.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.9 p -57.98 155.62 23.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.579 0.704 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 130.05 18.71 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.707 2.271 . . . . 0.0 112.324 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -38.06 146.01 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.491 ' O ' HG12 ' A' ' 103' ' ' VAL . 81.5 t -131.8 78.61 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.44 128.47 35.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.126 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.2 p -135.58 144.96 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 37.7 ttm-85 -94.43 129.19 41.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.723 ' CG2' HD11 ' A' ' 34' ' ' ILE . 32.2 p -72.32 161.33 30.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 30' ' ' SER . 57.5 mt -63.27 152.74 36.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.7 p -100.07 123.91 44.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -77.09 -52.4 9.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.4 t -60.18 -61.56 2.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 166.97 -175.69 42.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -21.9 32.78 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.63 2.22 . . . . 0.0 112.366 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 78.5 p -86.67 105.53 16.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.6 t -128.77 95.07 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 1' ' ' GLY . 96.8 p 34.44 42.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.861 0.363 . . . . 0.0 110.874 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.5 m -99.24 -56.48 2.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.76 151.97 5.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 m -141.9 140.2 32.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 0.0 110.838 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -148.96 128.34 13.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.62 -67.36 0.24 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 9' ' ' VAL . 3.1 mmp_? 51.69 54.84 10.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 0.0 110.89 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 8' ' ' ARG . 48.9 t -34.67 137.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -102.69 82.01 2.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.0 p -125.51 78.98 1.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.83 149.11 9.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.562 0.696 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 174.52 9.4 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.323 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -46.4 140.36 4.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.532 HG22 HD23 ' A' ' 17' ' ' LEU . 7.1 p -117.19 158.17 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.756 ' O ' HD22 ' A' ' 17' ' ' LEU . 12.1 pt20 -85.84 77.39 9.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.756 HD22 ' O ' ' A' ' 16' ' ' GLN . 4.4 mm? -132.09 161.12 64.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.589 0.709 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.519 ' HD2' ' CD1' ' A' ' 17' ' ' LEU . 54.3 Cg_endo -69.71 169.27 19.24 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.366 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.74 174.27 29.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.439 ' HD3' HG21 ' A' ' 98' ' ' VAL . 54.0 Cg_endo -69.75 121.97 8.65 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.485 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -47.46 112.43 2.07 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.578 0.704 . . . . 0.0 111.113 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 23' ' ' ASN . 53.7 Cg_endo -69.75 -176.74 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.668 2.245 . . . . 0.0 112.342 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 22' ' ' PRO . 1.1 m-80 37.4 45.11 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 38' ' ' TRP . 44.1 tp -78.44 99.6 6.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -106.61 160.06 15.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -158.39 126.98 5.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -144.72 149.92 36.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.18 105.25 16.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.057 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.34 -34.32 74.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.416 ' HA ' HD12 ' A' ' 108' ' ' LEU . 1.2 m -142.23 163.0 42.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.671 0.748 . . . . 0.0 110.853 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -4.39 13.93 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.689 2.26 . . . . 0.0 112.364 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 47.5 p -129.67 -2.11 4.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 t -134.54 173.79 11.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.403 HD11 ' CG2' ' A' ' 107' ' ' THR . 68.7 mt -150.88 131.53 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.6 m -105.65 120.46 41.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.5 t -116.11 130.43 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 30.5 p -128.35 130.36 47.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.563 ' HB3' HD12 ' A' ' 24' ' ' LEU . 46.6 p90 -132.57 166.85 21.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.485 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 4.0 mm-40 -115.31 165.05 13.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.556 HG23 ' HD2' ' A' ' 41' ' ' PRO . 88.5 m -86.02 136.24 36.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 111.121 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.556 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.9 Cg_endo -69.79 106.51 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 0.0 112.333 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.1 m -39.96 -34.45 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.4 t -93.28 104.91 17.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -151.52 101.31 0.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -47.96 -43.96 29.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.376 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.13 154.08 16.77 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.503 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -69.71 121.27 16.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.585 HG21 ' CE1' ' A' ' 51' ' ' TYR . 49.5 mm -49.25 118.32 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -76.66 -46.85 24.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -153.92 152.96 31.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE1' HG21 ' A' ' 48' ' ' ILE . 59.5 m-85 -104.97 129.4 53.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -106.14 127.81 53.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.583 ' O ' HG22 ' A' ' 66' ' ' VAL . 19.5 tp -119.68 117.71 29.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.403 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 13.1 m-85 -96.63 155.68 16.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.465 ' CE1' ' HB2' ' A' ' 64' ' ' GLN . 25.0 p90 -155.86 137.9 14.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -155.88 157.88 37.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.459 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 14.3 tt0 -86.53 133.74 33.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.471 ' HE3' ' CB ' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -57.68 94.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.07 37.57 0.87 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.507 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -125.02 -35.16 2.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.319 . . . . 0.0 111.111 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 t0 70.75 25.38 4.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.47 110.81 4.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -104.64 158.68 16.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.465 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 21.2 mm-40 -115.77 -175.04 2.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -144.05 130.65 20.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 53' ' ' LEU . 3.8 m -122.42 125.25 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 67' ' ' ASP . 0.5 OUTLIER -73.13 117.5 14.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 70' ' ' SER . 95.4 t -123.65 139.39 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.8 m -93.17 -39.04 11.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.454 ' O ' HG12 ' A' ' 68' ' ' VAL . 20.3 p -91.42 165.78 13.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -84.53 24.96 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.9 p -155.47 116.3 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -125.42 156.0 39.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.7 m -121.04 117.51 27.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.7 mt -98.3 112.32 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -103.73 175.24 5.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.41 48.03 25.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 60.9 mt -117.71 165.3 13.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -82.22 151.94 26.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -80.96 143.55 32.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.469 ' CD1' ' HB3' ' A' ' 109' ' ' SER . 2.8 t80 53.94 53.31 11.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.7 m -141.02 126.77 19.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.33 147.4 46.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.459 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 46.4 m-85 -143.48 130.16 20.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -82.81 148.29 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -142.98 142.13 31.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.403 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 16.7 ptt180 -151.03 128.61 11.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 59.6 t -101.54 138.38 25.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 69.6 t -122.52 133.22 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.445 ' HB1' HD12 ' A' ' 48' ' ' ILE . . . -87.08 128.24 35.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.086 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 32.1 m-85 -116.06 122.23 44.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.405 ' OD1' HD13 ' A' ' 48' ' ' ILE . 21.3 m-20 -114.74 163.19 15.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 94' ' ' HIS . 9.4 ptpp? -39.92 -36.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.429 ' N ' ' HG3' ' A' ' 93' ' ' LYS . 20.1 m-70 -70.8 -66.64 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.538 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . -178.8 -172.45 43.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.551 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.7 Cg_endo -69.81 132.15 22.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.373 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.433 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -88.16 -118.72 1.44 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.461 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.439 HG21 ' HD3' ' A' ' 20' ' ' PRO . 27.0 m -95.35 -177.8 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 0.0 111.133 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.0 t -129.5 110.6 11.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.6 p -44.58 158.03 0.29 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 111.125 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 130.86 20.08 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.82 132.96 1.16 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.497 ' O ' HG12 ' A' ' 103' ' ' VAL . 74.6 t -119.92 80.9 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.159 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.471 ' CB ' ' HE3' ' A' ' 58' ' ' LYS . . . -72.97 141.26 47.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.63 143.42 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.0 ttm-85 -95.1 130.18 41.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.403 ' CG2' HD11 ' A' ' 34' ' ' ILE . 39.9 p -77.3 162.13 27.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 30' ' ' SER . 33.4 mt -66.17 138.76 57.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.469 ' HB3' ' CD1' ' A' ' 81' ' ' TYR . 95.3 p -86.0 125.72 33.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -80.83 42.89 0.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.1 p -140.47 172.28 12.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.67 74.19 1.16 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.514 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -2.26 9.89 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 115' ' ' SER . 94.1 p -86.19 89.1 7.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 114' ' ' SER . 58.3 m 36.85 42.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 115' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -149.29 123.38 9.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -87.45 -53.63 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.61 125.35 2.75 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.459 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.4 m -51.48 143.99 11.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.878 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -84.75 46.85 1.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.846 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.38 -147.77 27.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.8 ptt-85 -174.57 114.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.2 m -111.8 140.03 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.25 68.0 0.75 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.8 p -145.35 113.8 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -143.97 139.23 15.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.636 0.732 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -176.47 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.726 2.284 . . . . 0.0 112.334 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -106.15 123.26 47.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 64.4 t -138.8 137.88 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -63.74 103.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.651 HD13 ' HA2' ' A' ' 97' ' ' GLY . 44.3 mt -143.04 155.5 62.16 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.61 ' HG2' ' HB3' ' A' ' 90' ' ' ALA . 54.3 Cg_endo -69.75 148.08 64.37 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.683 2.255 . . . . 0.0 112.365 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.41 173.97 55.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.462 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.7 Cg_endo -69.75 128.91 16.72 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.73 2.287 . . . . 0.0 112.336 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.95 112.04 4.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.712 . . . . 0.0 111.068 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -179.33 2.83 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.371 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.407 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 27.3 m120 40.83 49.32 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.6 tp -86.62 99.36 11.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.7 mmp_? -110.68 163.85 13.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.75 127.43 6.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -143.17 139.2 30.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.78 106.62 9.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.05 -37.3 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -144.94 162.32 38.63 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.661 0.743 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 1.8 4.1 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.323 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.516 HG22 ' HE2' ' A' ' 80' ' ' LYS . 70.3 p -131.48 -1.73 3.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.4 p -143.44 170.19 16.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.492 HD11 HG23 ' A' ' 107' ' ' THR . 89.1 mt -147.16 134.76 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.3 m -105.5 132.07 52.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.0 t -125.49 130.24 72.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.9 p -123.39 133.65 54.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.444 ' HH2' HG11 ' A' ' 68' ' ' VAL . 41.4 p90 -139.56 166.46 24.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.407 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 5.6 mm-40 -116.77 165.34 13.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.5 m -85.7 133.24 42.15 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.613 0.721 . . . . 0.0 111.114 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 114.92 3.87 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.249 . . . . 0.0 112.341 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 43' ' ' SER . 17.6 m -53.68 -38.82 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.409 ' N ' HG23 ' A' ' 42' ' ' VAL . 84.0 p -90.3 113.34 25.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.01 162.43 36.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.508 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -100.88 120.02 39.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.26 -155.57 53.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -103.42 151.98 22.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.489 HG21 ' CE1' ' A' ' 51' ' ' TYR . 20.6 mm -78.44 112.8 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -60.4 -53.75 53.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -157.19 165.73 35.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.489 ' CE1' HG21 ' A' ' 48' ' ' ILE . 27.7 m-85 -113.03 125.6 54.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.97 123.3 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.619 ' O ' HG22 ' A' ' 66' ' ' VAL . 22.7 tp -114.46 113.58 24.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.454 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 4.9 m-85 -91.22 159.12 16.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.423 ' CZ ' ' NE2' ' A' ' 64' ' ' GLN . 13.4 p90 -161.85 137.03 7.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -156.36 162.15 40.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 58' ' ' LYS . 10.3 tt0 -94.31 110.47 22.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' GLU . 13.9 tptp -33.86 104.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 128.32 -39.0 1.96 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.528 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -29.4 54.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.323 . . . . 0.0 111.084 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 64.02 25.04 13.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -151.11 118.04 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.71 157.65 16.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.423 ' NE2' ' CZ ' ' A' ' 55' ' ' TYR . 18.7 mt-30 -114.72 -174.74 2.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.53 130.01 25.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 53' ' ' LEU . 23.1 m -128.23 138.83 53.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -73.45 123.98 24.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.545 HG12 ' H ' ' A' ' 70' ' ' SER . 87.4 t -130.48 123.89 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.2 m -110.96 37.01 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.545 ' H ' HG12 ' A' ' 68' ' ' VAL . 39.2 m -152.05 146.51 25.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -55.75 -32.22 63.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.8 p -120.13 150.12 41.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -141.89 157.57 44.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.9 m -128.88 113.93 15.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.2 mt -94.39 122.41 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.01 157.53 21.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.442 ' O ' HD23 ' A' ' 78' ' ' LEU . . . 88.83 56.13 2.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 77' ' ' GLY . 26.5 mt -129.28 168.31 16.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -82.45 166.43 19.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.516 ' HE2' HG22 ' A' ' 32' ' ' THR . 0.0 OUTLIER -93.95 146.86 23.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.5 t80 52.65 44.58 29.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.4 m -129.32 135.25 48.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -76.63 145.43 38.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -141.79 132.78 26.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.7 t -88.13 151.74 22.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -147.52 140.22 24.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.454 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 6.1 ptp180 -151.05 138.49 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 90.5 t -108.16 139.77 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.403 HG22 ' CB ' ' A' ' 99' ' ' SER . 86.8 t -135.64 143.78 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.61 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -96.52 122.73 39.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.122 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.547 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 21.2 m-85 -108.79 112.5 24.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.464 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 43.8 p-10 -124.28 161.52 25.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 92' ' ' ASN . 4.8 ptpp? -36.01 -41.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -62.78 -67.36 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.524 ' O ' HD22 ' A' ' 17' ' ' LEU . . . 174.03 172.22 39.1 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.547 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.5 Cg_endo -69.79 87.52 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.651 ' HA2' HD13 ' A' ' 17' ' ' LEU . . . -51.46 -174.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.462 HG21 ' HD3' ' A' ' 20' ' ' PRO . 28.3 m -42.98 166.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.343 . . . . 0.0 111.111 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.403 ' CB ' HG22 ' A' ' 89' ' ' VAL . 43.8 t -127.23 137.28 52.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.49 158.29 21.91 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.568 0.699 . . . . 0.0 111.165 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 130.97 20.28 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.679 2.253 . . . . 0.0 112.348 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -40.69 139.29 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 86.4 t -121.68 79.79 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.43 136.64 51.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.1 p -147.02 145.88 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 42.9 ttm-85 -101.05 131.04 47.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.492 HG23 HD11 ' A' ' 34' ' ' ILE . 2.4 p -72.01 171.96 10.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.176 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 46.6 mt -74.77 143.98 43.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 83.0 p -87.46 125.29 34.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -85.21 45.19 1.15 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 54.5 m -107.23 -44.81 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -53.84 132.36 44.34 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 165.16 31.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.5 t -59.97 -37.84 80.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.7 t -74.91 -62.24 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.491 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.6 p -152.44 155.26 37.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.934 0.397 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -110.22 175.64 5.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.5 -177.8 39.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -157.4 154.23 28.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.815 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -166.56 173.75 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.98 76.81 0.26 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.4 mmm-85 -69.84 87.06 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.2 m -118.74 129.21 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -62.36 86.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.6 m -124.06 87.29 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.154 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -60.95 151.13 75.49 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.534 0.683 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 161.74 44.75 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.729 2.286 . . . . 0.0 112.334 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -100.32 -175.88 3.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.6 m -113.9 -19.26 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.527 HE22 ' CE1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -84.62 39.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.531 HD12 ' HD2' ' A' ' 18' ' ' PRO . 4.4 mm? -85.12 161.43 52.4 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.633 0.73 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HD2' HD12 ' A' ' 17' ' ' LEU . 54.2 Cg_endo -69.77 154.6 67.52 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.274 . . . . 0.0 112.33 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.23 167.25 54.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.856 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.7 Cg_endo -69.75 134.84 28.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.366 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -57.63 109.97 2.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.569 0.7 . . . . 0.0 111.118 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -178.4 2.32 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.419 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 24.1 m120 44.28 42.85 5.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.1 tp -76.92 102.59 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -111.94 163.0 14.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -160.75 127.0 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -143.49 148.63 36.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.66 109.45 20.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.076 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.78 -38.65 58.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.613 ' HA ' HD12 ' A' ' 108' ' ' LEU . 7.2 m -138.41 158.41 70.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.643 0.735 . . . . 0.0 110.844 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.95 2.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.8 p -131.95 -3.2 3.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 p -138.76 176.86 8.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.814 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.893 HD11 HG23 ' A' ' 107' ' ' THR . 62.3 mt -156.42 129.42 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.7 m -103.22 139.74 38.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.6 t -132.92 131.75 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.1 p -123.67 129.82 51.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.509 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 49.0 p90 -134.01 162.92 30.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.981 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.449 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 33.4 mm-40 -114.34 165.22 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.638 HG23 ' HD2' ' A' ' 41' ' ' PRO . 89.5 m -85.67 137.95 35.89 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.589 0.709 . . . . 0.0 111.173 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.638 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.82 124.6 11.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.74 -28.8 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.2 t -93.44 166.68 12.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.48 -171.3 18.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -128.3 106.54 9.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.29 168.01 40.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -88.06 156.39 19.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 49' ' ' GLN . 25.5 mm -83.81 156.24 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.446 ' N ' HG22 ' A' ' 48' ' ' ILE . 2.7 mp0 -118.48 -38.62 3.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -143.37 160.39 40.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -127.49 117.21 21.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.552 ' HD2' ' CE1' ' A' ' 91' ' ' TYR . 10.4 ttmm -90.27 131.91 35.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.7 tp -121.13 125.39 47.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 1.6 m-85 -103.21 148.1 26.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -151.58 133.12 14.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -157.18 162.23 39.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.576 ' HG3' ' CE2' ' A' ' 84' ' ' TYR . 33.7 mt-10 -82.21 136.81 35.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -59.88 101.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.86 42.95 2.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.469 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 m -124.27 -35.51 2.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 111.164 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t70 71.48 27.7 3.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -134.8 82.4 1.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.401 ' OE2' ' NE ' ' A' ' 87' ' ' ARG . 4.0 tt0 -73.38 150.47 41.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.409 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 28.1 mt-30 -122.93 -179.47 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -153.72 130.79 11.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.5 m -127.56 132.81 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -77.82 117.15 18.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.8 t -124.3 145.67 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.6 t -103.27 -36.48 8.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.6 m -80.82 172.11 14.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.509 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 16.8 m80 -79.73 -34.16 40.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.9 p -112.04 143.59 42.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -139.29 149.91 44.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.7 m -117.45 116.41 27.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.9 mt -95.53 118.18 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -105.78 172.06 7.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.3 56.45 4.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.446 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.401 HD12 HG13 ' A' ' 34' ' ' ILE . 38.9 mt -129.15 162.44 27.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -76.66 170.98 15.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -97.68 141.96 30.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.7 t80 55.87 44.09 26.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.4 m -127.01 136.03 51.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.158 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -79.0 144.83 34.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 57' ' ' GLU . 42.1 m-85 -140.75 130.15 23.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.0 t -84.31 149.64 25.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.418 ' CE2' HG21 ' A' ' 34' ' ' ILE . 79.0 m-85 -146.28 140.53 26.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.43 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 5.5 ptp180 -151.01 132.7 14.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 72.0 t -100.54 129.63 51.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.0 t -118.78 137.81 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.513 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -86.98 125.11 33.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 23.5 m-85 -121.41 108.2 13.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -117.69 171.25 8.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -42.66 -41.87 3.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.527 ' CE1' HE22 ' A' ' 16' ' ' GLN . 38.8 m-70 -61.85 -70.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.528 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 177.03 -178.59 48.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.0 Cg_endo -69.69 125.65 12.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 0.0 112.387 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.437 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -93.59 -168.8 38.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.856 HG21 ' HD3' ' A' ' 20' ' ' PRO . 18.3 m -43.17 167.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.1 t -125.85 124.09 40.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.3 p -55.08 157.24 6.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 0.0 111.129 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 130.72 19.76 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.637 2.225 . . . . 0.0 112.327 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -38.55 133.99 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.562 ' O ' HG12 ' A' ' 103' ' ' VAL . 79.1 t -118.74 77.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.32 139.55 54.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.1 p -145.44 141.78 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.3 ttm105 -90.86 125.29 35.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.893 HG23 HD11 ' A' ' 34' ' ' ILE . 3.8 p -73.29 154.45 40.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 30' ' ' SER . 34.9 mt -56.93 141.86 43.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.2 p -90.51 133.3 35.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -83.65 45.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.1 t -96.51 99.66 11.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.403 ' HA3' ' HD2' ' A' ' 113' ' ' PRO . . . -111.44 -143.93 9.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.403 ' HD2' ' HA3' ' A' ' 112' ' ' GLY . 54.0 Cg_endo -69.73 135.5 30.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.357 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 82.5 p -141.93 146.85 36.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.7 t -78.81 90.89 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 t -114.65 -56.5 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m 61.99 41.69 10.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.34 104.8 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -172.68 143.32 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.366 . . . . 0.0 110.869 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -75.71 -65.63 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . 98.01 -115.63 5.33 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.544 ' N ' ' NE ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -36.45 153.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.842 -179.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.3 m -118.52 175.6 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -98.71 166.03 11.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.9 m -154.43 151.81 29.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.411 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -100.61 111.65 63.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.918 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 12' ' ' GLN . 53.4 Cg_endo -69.75 -176.97 1.66 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.716 2.277 . . . . 0.0 112.329 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -90.95 -174.98 4.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.4 m -103.04 -35.83 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.61 ' O ' HD12 ' A' ' 17' ' ' LEU . 8.7 pt20 -85.17 62.53 7.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.663 HD23 ' HA2' ' A' ' 97' ' ' GLY . 1.4 mp -127.41 161.27 55.68 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.687 0.756 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HD3' ' ND2' ' A' ' 92' ' ' ASN . 53.9 Cg_endo -69.78 -179.54 2.99 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.686 2.258 . . . . 0.0 112.345 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.28 168.73 13.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.695 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.6 Cg_endo -69.77 132.84 24.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -61.42 112.24 5.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.554 0.693 . . . . 0.0 111.126 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 23' ' ' ASN . 53.4 Cg_endo -69.77 -174.11 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.702 2.268 . . . . 0.0 112.34 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 22' ' ' PRO . 1.0 OUTLIER 33.99 51.6 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.422 HD12 ' HB3' ' A' ' 38' ' ' TRP . 51.1 tp -82.32 106.22 14.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 mmm-85 -111.77 162.3 15.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.482 ' HB3' HG11 ' A' ' 103' ' ' VAL . . . -160.95 126.64 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -144.46 145.52 31.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' ' 107' ' ' THR . . . -87.42 107.51 18.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.54 -35.56 70.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 m -137.65 160.81 63.57 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.665 0.745 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -1.94 9.31 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.643 2.229 . . . . 0.0 112.388 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.3 p -126.42 -16.6 5.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.8 m -130.21 169.35 15.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.545 HD11 HG23 ' A' ' 107' ' ' THR . 94.1 mt -144.01 148.79 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 78.4 m -117.73 117.03 28.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.3 t -111.99 134.97 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 46.5 p -132.03 130.36 41.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.601 ' CZ2' ' O ' ' A' ' 71' ' ' HIS . 39.7 p90 -129.66 169.09 15.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.406 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 4.8 mm-40 -115.75 164.54 14.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.4 m -86.1 130.96 48.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 111.142 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 108.56 2.12 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.707 2.271 . . . . 0.0 112.326 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.1 m -49.32 -20.81 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.159 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.5 t -89.89 157.97 17.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.23 159.01 7.75 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.539 ' ND2' ' CD2' ' A' ' 94' ' ' HIS . 14.3 p-10 -104.69 -44.64 4.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 110.858 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -102.02 -178.15 27.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -95.09 137.53 34.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.361 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.715 HG21 ' CZ ' ' A' ' 51' ' ' TYR . 21.4 mm -68.06 112.83 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -79.15 -54.1 6.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -141.83 154.71 45.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.715 ' CZ ' HG21 ' A' ' 48' ' ' ILE . 46.5 m-85 -108.5 137.83 45.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -107.97 135.04 50.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.663 ' O ' HG22 ' A' ' 66' ' ' VAL . 19.3 tp -131.67 115.5 16.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.551 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 1.5 m-85 -95.58 158.7 15.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -159.97 132.79 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.5 ptt? -158.68 162.1 37.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.411 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 19.6 tt0 -82.19 133.43 35.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -60.38 99.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.23 42.77 0.88 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.73 -32.31 1.48 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.747 0.308 . . . . 0.0 111.118 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 0.5 OUTLIER 67.84 26.43 7.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.48 75.67 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.0 149.59 49.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.551 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 69.8 mt-30 -121.69 175.1 6.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.02 130.79 15.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.663 HG22 ' O ' ' A' ' 53' ' ' LEU . 30.9 m -128.12 141.05 47.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -84.31 116.36 22.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.2 t -117.7 152.15 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.0 t -107.63 -37.51 6.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.6 m -95.52 155.17 16.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.601 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 71.5 m80 -60.61 -38.55 85.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.4 m -103.03 123.33 46.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -123.43 160.12 27.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 84.8 m -123.08 114.82 20.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.165 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.0 mt -95.06 114.77 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -108.38 150.76 26.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.99 55.95 1.55 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 65.8 mt -123.92 174.06 7.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.894 0.378 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -80.77 154.11 27.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -82.83 144.97 29.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.484 ' CE1' ' HD3' ' A' ' 106' ' ' ARG . 53.5 t80 42.11 46.05 3.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 34.5 m -127.87 136.81 51.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.174 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -70.66 148.53 47.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 35.8 m-85 -149.0 130.52 14.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 t -83.05 155.59 23.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -150.93 142.25 23.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.455 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 4.4 ptp180 -151.17 161.02 43.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.1 t -130.73 133.0 63.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.173 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 94.0 t -123.37 135.7 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.93 126.22 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 39.3 m-85 -117.23 106.94 13.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.418 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 51.4 p-10 -118.71 177.62 4.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -45.88 -49.25 15.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.539 ' CD2' ' ND2' ' A' ' 45' ' ' ASN . 28.6 m-70 -55.59 -65.22 0.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 166.85 -179.85 40.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.553 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.0 Cg_endo -69.75 109.7 2.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.652 2.235 . . . . 0.0 112.377 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.663 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . -80.09 -164.06 29.16 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.508 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.695 HG21 ' HD3' ' A' ' 20' ' ' PRO . 24.9 m -46.37 168.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.827 0.346 . . . . 0.0 111.145 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.4 t -126.73 131.18 51.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.7 p -57.7 158.09 12.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.552 0.691 . . . . 0.0 111.138 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 131.22 20.77 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.62 146.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.485 ' O ' HG12 ' A' ' 103' ' ' VAL . 77.4 t -126.33 78.84 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.37 126.14 28.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.3 p -137.26 146.37 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.484 ' HD3' ' CE1' ' A' ' 81' ' ' TYR . 37.3 ttm-85 -100.77 123.0 44.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.545 HG23 HD11 ' A' ' 34' ' ' ILE . 6.3 p -62.98 174.77 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 28.6 mt -75.04 150.99 38.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.0 p -90.9 134.89 34.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -105.58 -55.54 2.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 112' ' ' GLY . 11.1 t -86.16 132.68 33.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.818 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 111' ' ' SER . . . -36.54 146.6 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.521 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 114' ' ' SER . 53.3 Cg_endo -69.75 125.2 11.87 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.707 2.271 . . . . 0.0 112.286 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 113' ' ' PRO . 72.1 p 34.42 42.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.3 t -51.71 127.39 20.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.819 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.1 t -171.36 157.12 4.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.3 p -132.07 -50.19 0.95 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.18 -166.68 14.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.5 m -149.85 177.33 9.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.817 0.341 . . . . 0.0 110.887 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 t -170.05 163.7 9.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.82 51.04 0.38 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -111.34 41.44 1.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.928 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -106.04 40.11 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -86.7 156.83 19.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.3 m -110.24 111.8 23.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.161 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -138.18 145.72 48.69 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -174.93 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.342 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -64.61 137.8 58.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.635 HG23 HD12 ' A' ' 17' ' ' LEU . 17.8 m -120.91 165.01 16.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.088 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -75.69 101.41 5.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.635 HD12 HG23 ' A' ' 15' ' ' VAL . 39.2 mt -151.42 155.7 34.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 165.88 29.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.46 169.29 25.98 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ALA . 53.3 Cg_endo -69.78 111.6 2.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.231 . . . . 0.0 112.326 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' PRO . . . -34.86 115.32 0.51 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 0.0 111.097 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 173.5 10.89 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.367 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.9 m120 47.31 49.62 15.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 tp -84.54 103.94 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -113.47 158.45 20.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.78 129.91 10.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -145.4 145.28 31.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 107' ' ' THR . . . -84.07 100.7 11.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.77 -46.09 83.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -130.03 162.35 54.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.691 0.758 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -3.76 12.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.745 2.296 . . . . 0.0 112.335 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.9 p -130.52 9.08 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -147.98 171.88 15.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.544 HD11 HG23 ' A' ' 107' ' ' THR . 80.8 mt -151.54 125.3 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.5 m -100.35 127.32 46.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.8 t -118.16 127.95 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.1 p -121.12 143.3 49.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 45.1 p90 -145.82 -178.65 6.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -122.29 166.26 14.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.488 HG23 ' HD2' ' A' ' 41' ' ' PRO . 74.9 m -84.34 134.62 42.62 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.537 0.684 . . . . 0.0 111.189 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.488 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.6 Cg_endo -69.79 145.48 57.12 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 42' ' ' VAL . 28.2 m -75.37 55.59 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.15 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 44' ' ' GLY . 58.0 m 47.65 54.95 9.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 43' ' ' SER . . . -33.79 -44.66 0.34 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.432 ' ND2' ' CD2' ' A' ' 94' ' ' HIS . 11.7 t30 -128.43 -54.88 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -142.02 -112.54 0.92 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -118.77 149.94 40.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.1 mm -90.39 138.82 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -98.95 -57.7 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -144.14 172.45 12.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -122.29 118.84 29.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.455 ' HE2' ' CE1' ' A' ' 91' ' ' TYR . 5.0 tppt? -95.78 129.69 42.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.438 ' O ' HG22 ' A' ' 66' ' ' VAL . 64.6 tp -114.87 123.69 49.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.936 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.445 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 2.3 m-85 -104.84 154.32 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -160.27 130.54 5.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -156.23 154.92 31.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -82.02 130.73 35.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.17 96.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.89 39.09 0.67 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.444 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.82 -27.77 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 111.167 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 63.96 26.4 14.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -147.74 110.75 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.409 ' CD ' ' HB3' ' A' ' 54' ' ' TYR . 24.3 tt0 -106.11 151.04 25.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -117.22 169.96 9.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -130.84 128.79 41.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 53' ' ' LEU . 35.1 m -120.16 136.43 57.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.52 120.92 17.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.3 t -127.67 127.72 68.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.6 m -116.51 49.92 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.4 p -163.07 167.08 22.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -79.12 -23.76 43.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 94.0 p -130.83 127.57 38.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -131.01 143.73 50.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 87.3 m -112.96 127.35 56.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.11 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.424 HD11 HD21 ' A' ' 53' ' ' LEU . 44.8 mt -107.33 111.47 35.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.441 ' H ' ' ND2' ' A' ' 76' ' ' ASN . 0.6 OUTLIER -100.02 155.42 17.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.78 47.88 2.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.538 HD12 HG13 ' A' ' 34' ' ' ILE . 28.8 mt -121.86 157.56 30.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.871 0.367 . . . . 0.0 110.95 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -71.82 156.65 39.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.64 145.73 28.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.505 ' CD1' ' HB2' ' A' ' 109' ' ' SER . 4.0 t80 48.75 44.33 21.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.8 m -128.43 128.49 44.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -70.22 147.66 49.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -146.23 131.15 18.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 t -83.2 155.27 23.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.442 ' CE2' HG21 ' A' ' 34' ' ' ILE . 78.9 m-85 -149.52 136.98 20.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.445 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 12.0 ptp180 -151.17 134.12 15.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 88.8 t -104.99 135.44 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.562 HG22 ' HB2' ' A' ' 99' ' ' SER . 88.8 t -117.34 129.72 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.53 114.24 23.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.067 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 41.6 m-85 -99.2 108.01 20.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -107.8 158.97 16.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -39.6 -32.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.432 ' CD2' ' ND2' ' A' ' 45' ' ' ASN . 16.2 m-70 -75.47 -63.4 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.46 172.77 45.56 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.565 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.1 Cg_endo -69.78 86.79 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.54 ' HA2' HD13 ' A' ' 17' ' ' LEU . . . -50.6 -179.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.3 m -41.86 163.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 111.118 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.562 ' HB2' HG22 ' A' ' 89' ' ' VAL . 31.9 t -123.98 136.68 54.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.1 p -51.81 153.31 4.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.708 . . . . 0.0 111.151 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 102' ' ' ASP . 53.7 Cg_endo -69.8 131.0 20.27 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 101' ' ' PRO . 4.5 p-10 -33.74 133.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.717 ' O ' HG12 ' A' ' 103' ' ' VAL . 41.3 t -120.32 75.37 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.98 142.8 58.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.4 p -150.02 144.38 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.2 ttm-85 -95.97 131.25 42.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.544 HG23 HD11 ' A' ' 34' ' ' ILE . 15.8 p -80.26 165.24 22.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.8 mt -69.27 139.73 54.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.505 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 40.0 t -93.05 119.06 31.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -62.29 106.59 0.77 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 95.6 p -83.25 -47.92 11.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 161.96 -80.65 0.14 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 100.69 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.67 2.247 . . . . 0.0 112.384 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 115' ' ' SER . 2.0 m -77.46 145.64 36.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 114' ' ' SER . 1.2 t 36.16 42.09 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p 45.78 42.29 8.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.879 0.371 . . . . 0.0 110.887 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 m 50.28 41.74 24.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.92 112.75 4.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -136.65 150.43 48.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.851 0.357 . . . . 0.0 110.859 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -162.52 105.55 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.789 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.32 74.6 1.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -80.36 98.27 7.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.3 m -96.68 137.16 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 12' ' ' GLN . 10.7 tt0 -96.59 -10.24 27.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 10' ' ' GLU . 32.2 p 34.02 34.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 10' ' ' GLU . 9.3 pt20 -38.66 107.47 0.42 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.617 0.722 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 174.84 8.96 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -51.66 172.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.7 m -89.81 62.99 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -129.76 43.16 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.531 HD12 ' HD2' ' A' ' 18' ' ' PRO . 4.5 mm? -110.31 161.35 24.88 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.629 0.728 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HD2' HD12 ' A' ' 17' ' ' LEU . 53.6 Cg_endo -69.75 170.75 15.84 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.734 2.289 . . . . 0.0 112.355 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.0 171.36 29.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.953 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.5 Cg_endo -69.79 123.92 10.56 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.661 2.24 . . . . 0.0 112.351 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.634 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -55.58 110.4 2.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.526 0.679 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -178.51 2.34 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.648 2.232 . . . . 0.0 112.383 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.48 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 22.9 m120 44.38 47.26 8.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.5 tp -80.92 103.8 10.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.971 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -111.9 158.05 19.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.56 127.1 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.507 ' CE2' ' HB ' ' A' ' 35' ' ' THR . 17.7 p90 -143.02 141.45 31.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.17 104.62 9.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.01 -29.35 62.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 m -151.46 159.29 33.63 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.663 0.744 . . . . 0.0 110.846 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 3.37 2.8 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.9 p -129.5 -8.3 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.44 ' C ' HG13 ' A' ' 34' ' ' ILE . 1.8 p -139.5 176.78 8.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.442 HD12 ' HZ ' ' A' ' 86' ' ' PHE . 95.4 mt -151.0 122.54 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.507 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 99.1 m -91.58 125.56 36.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 39.8 t -122.3 133.46 68.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.809 HG22 ' HB2' ' A' ' 72' ' ' SER . 68.4 p -126.23 130.29 50.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.54 ' CE2' ' O ' ' A' ' 71' ' ' HIS . 41.2 p90 -131.43 166.64 20.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.634 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 47.1 mm-40 -116.03 165.12 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.563 HG23 ' HD2' ' A' ' 41' ' ' PRO . 87.2 m -85.81 136.59 36.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.537 0.684 . . . . 0.0 111.147 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.563 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.81 117.22 4.96 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.315 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.3 m -50.86 -38.16 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.5 m -89.81 132.23 35.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.24 134.03 2.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.507 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -56.34 -41.92 76.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.04 172.77 27.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -60.3 134.67 57.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.821 0.344 . . . . 0.0 110.931 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.931 HD13 ' OD1' ' A' ' 92' ' ' ASN . 19.1 mm -64.77 136.07 27.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.127 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -85.94 -55.25 4.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -146.49 163.43 35.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -112.67 136.36 52.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' HE2' ' CE1' ' A' ' 91' ' ' TYR . 1.3 tppt? -109.42 129.81 55.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.603 ' O ' HG22 ' A' ' 66' ' ' VAL . 24.4 tp -124.72 106.24 9.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.43 ' HB2' ' CG ' ' A' ' 87' ' ' ARG . 3.1 m-85 -86.8 159.04 19.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -158.43 136.41 10.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -156.9 161.57 39.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -84.72 135.8 33.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -59.24 103.15 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.8 38.93 1.49 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.535 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -128.49 -39.34 1.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.763 0.316 . . . . 0.0 111.144 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.2 t0 72.48 28.46 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -149.99 108.56 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -110.14 161.35 15.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -116.61 -176.33 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.59 131.02 35.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.607 ' O ' HG23 ' A' ' 66' ' ' VAL . 15.6 m -124.46 116.8 48.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.68 118.65 12.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.1 t -121.54 146.61 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.8 p -100.21 -39.21 8.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.1 m -83.04 162.16 21.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.54 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 13.2 m80 -64.15 -37.81 88.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.809 ' HB2' HG22 ' A' ' 37' ' ' THR . 2.6 t -109.45 152.38 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -151.09 156.33 40.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.4 m -119.08 122.49 42.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.6 mt -100.55 104.0 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.099 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.26 172.3 8.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.05 50.21 4.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.2 mt -125.22 176.54 6.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.92 0.39 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -83.08 161.45 21.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -87.85 137.67 32.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.581 ' CE1' ' HD3' ' A' ' 106' ' ' ARG . 6.7 t80 52.04 46.25 26.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.2 m -126.91 143.57 51.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.174 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -77.32 151.27 35.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -153.0 132.1 12.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 t -86.23 159.73 19.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.442 ' HZ ' HD12 ' A' ' 34' ' ' ILE . 96.2 m-85 -153.61 139.85 18.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.43 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 6.8 ptp180 -148.09 132.07 17.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 71.5 t -99.5 126.54 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.5 t -121.27 129.84 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.709 ' HB1' HD12 ' A' ' 48' ' ' ILE . . . -87.0 127.23 35.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 29.5 m-85 -112.58 106.91 15.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.931 ' OD1' HD13 ' A' ' 48' ' ' ILE . 10.2 m-20 -100.48 164.7 11.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -40.29 -29.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.448 ' N ' ' HG2' ' A' ' 93' ' ' LYS . 48.3 m-70 -75.53 -51.79 12.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.522 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 160.76 -166.2 35.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.45 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.555 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 53.5 Cg_endo -69.78 125.06 11.7 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.439 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -94.53 -162.53 35.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.953 HG21 ' HD3' ' A' ' 20' ' ' PRO . 30.4 m -41.98 165.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 0.0 111.113 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.1 t -123.99 119.25 29.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 p -56.79 157.26 10.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.514 0.673 . . . . 0.0 111.188 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 130.39 19.31 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.731 2.288 . . . . 0.0 112.346 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.22 145.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.54 ' O ' HG12 ' A' ' 103' ' ' VAL . 76.5 t -130.7 79.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.09 138.62 47.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.6 p -150.49 147.03 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.581 ' HD3' ' CE1' ' A' ' 81' ' ' TYR . 34.1 ttm-85 -95.37 130.2 42.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.5 p -72.01 176.49 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 23.0 mt -83.55 156.63 22.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.4 t -106.71 143.88 34.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -99.16 -46.95 5.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.1 m -119.92 -57.47 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 62.68 176.58 3.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 1.89 3.99 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.2 p -42.43 160.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 69.2 p -106.52 -41.95 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.461 -179.936 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 p -163.83 109.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.362 . . . . 0.0 110.828 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.4 p -43.94 -36.97 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.95 -137.08 2.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 m 40.59 46.16 2.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 110.835 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.6 p -103.14 144.66 31.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.96 41.94 1.22 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.466 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.1 mmm-85 -128.59 151.11 49.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.918 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 9' ' ' VAL . 28.6 m -82.62 115.99 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.444 ' C ' ' CD ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -144.4 112.02 6.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 t -157.2 139.06 14.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.165 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -73.84 137.7 76.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.636 0.731 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 4.36 2.27 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.686 2.257 . . . . 0.0 112.293 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -89.76 124.21 34.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.9 t -117.11 50.88 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -98.97 43.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.537 ' CD1' ' O ' ' A' ' 95' ' ' GLY . 4.4 mm? -107.74 157.58 35.57 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.723 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.517 ' HD2' ' CD1' ' A' ' 17' ' ' LEU . 53.9 Cg_endo -69.76 156.08 64.25 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.66 172.78 50.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.755 ' HD3' HG21 ' A' ' 98' ' ' VAL . 53.8 Cg_endo -69.75 143.83 52.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.648 2.232 . . . . 0.0 112.392 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 39' ' ' GLU . . . -70.93 115.92 41.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.582 0.706 . . . . 0.0 111.08 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -176.16 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.636 2.224 . . . . 0.0 112.329 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.421 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 23.9 m120 39.33 50.27 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.9 tp -85.7 101.22 12.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -109.92 163.36 13.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.412 ' CB ' HG11 ' A' ' 103' ' ' VAL . . . -158.82 129.6 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -150.18 142.24 23.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.55 112.19 19.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.39 -27.32 38.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.059 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 m -141.66 157.3 65.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.699 0.762 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -1.28 8.22 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.364 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.5 p -129.1 -6.45 4.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.162 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -138.79 172.14 13.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.512 HD11 HG23 ' A' ' 107' ' ' THR . 97.1 mt -146.98 142.64 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 79.0 m -111.21 126.0 54.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.2 t -120.04 134.28 64.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.8 p -130.5 139.65 50.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 30.4 p90 -141.99 179.57 6.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.425 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 4.7 mm-40 -126.03 165.21 19.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.472 HG23 ' HD2' ' A' ' 41' ' ' PRO . 38.0 m -85.43 134.06 41.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 111.114 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.472 ' HD2' HG23 ' A' ' 40' ' ' THR . 53.5 Cg_endo -69.79 118.51 5.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 2.229 . . . . 0.0 112.33 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.527 HG23 ' N ' ' A' ' 43' ' ' SER . 15.8 m -60.5 -45.08 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.527 ' N ' HG23 ' A' ' 42' ' ' VAL . 74.4 m -93.75 130.92 39.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -172.8 -159.27 19.06 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -128.88 98.48 4.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.45 -158.25 35.55 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.538 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -101.52 146.92 27.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.657 HG21 ' CE1' ' A' ' 51' ' ' TYR . 28.9 mm -81.25 132.7 30.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -86.93 -65.75 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.94 161.89 34.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.657 ' CE1' HG21 ' A' ' 48' ' ' ILE . 52.8 m-85 -115.38 122.99 47.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.43 141.99 28.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.845 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.454 ' O ' HG22 ' A' ' 66' ' ' VAL . 18.6 tp -134.64 130.99 37.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.447 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 4.4 m-85 -111.41 162.81 14.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -160.56 131.98 5.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -151.94 162.1 41.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -90.59 130.87 36.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -54.94 98.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.17 32.92 1.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.506 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -123.55 -26.83 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 60.43 31.03 20.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -157.89 112.5 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -108.19 158.06 17.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.447 ' O ' ' CD2' ' A' ' 54' ' ' TYR . 21.2 mm100 -109.89 -177.91 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.94 132.48 32.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 53' ' ' LEU . 16.1 m -129.23 140.44 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -73.35 132.63 43.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.598 HG22 ' CD2' ' A' ' 73' ' ' TYR . 85.2 t -138.83 129.23 33.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.2 m -121.89 44.25 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.821 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.422 ' H ' HG12 ' A' ' 68' ' ' VAL . 21.5 p -163.98 165.28 22.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.451 ' HE2' ' HG1' ' A' ' 40' ' ' THR . 49.9 m80 -83.44 9.61 10.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 94.8 p -147.69 132.06 17.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.598 ' CD2' HG22 ' A' ' 68' ' ' VAL . 47.6 t80 -141.54 156.08 45.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 34.7 m -131.66 121.21 23.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 77.0 mt -100.09 120.72 49.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -111.95 159.47 18.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.63 51.12 2.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 54.0 mt -121.78 173.79 7.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.863 0.364 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -83.66 165.79 18.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -90.16 142.78 27.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.7 t80 48.24 49.28 17.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.2 m -131.35 145.65 51.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -81.91 152.88 26.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -151.67 129.59 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 t -84.61 154.51 22.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -147.22 138.47 23.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -148.57 139.67 23.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.0 t -108.23 141.74 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.4 t -133.31 131.28 57.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.09 130.37 34.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 96' ' ' PRO . 34.9 m-85 -118.65 120.45 37.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.504 HD21 HD13 ' A' ' 48' ' ' ILE . 4.5 m-20 -127.25 168.26 14.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.456 ' HE3' ' CE1' ' A' ' 94' ' ' HIS . 29.3 pttt -39.7 -44.53 1.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.456 ' CE1' ' HE3' ' A' ' 93' ' ' LYS . 12.2 m-70 -61.78 -60.53 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . 164.9 -175.81 40.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.449 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 54.4 Cg_endo -69.73 129.25 17.3 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.386 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.455 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -90.03 -150.85 24.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.755 HG21 ' HD3' ' A' ' 20' ' ' PRO . 20.0 m -60.54 -179.8 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 111.089 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.4 t -135.91 115.19 12.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -47.67 160.37 0.39 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.641 0.734 . . . . 0.0 111.086 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 134.06 27.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -44.08 133.71 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.467 ' O ' HG12 ' A' ' 103' ' ' VAL . 73.8 t -117.37 83.53 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -78.02 137.72 38.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.111 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.3 p -149.9 145.59 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.5 ttm-85 -95.26 133.07 39.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.512 HG23 HD11 ' A' ' 34' ' ' ILE . 14.7 p -76.98 171.23 15.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.1 mt -74.2 153.52 39.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.8 t -105.56 119.44 39.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -84.36 97.9 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 m -118.14 43.38 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.05 -158.02 48.33 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 92.73 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.674 2.249 . . . . 0.0 112.333 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.5 t -104.19 109.62 21.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.9 t -141.88 126.01 17.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.509 -179.998 . . . . . . . . 0 0 . 1 stop_ save_